# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988
# Chemical Composition:  Co3O14P2Pb3Te

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B14C2D3E_mP138_3_3c3d6e_42e_6e_3a3b6e_3a3b-001

# Last updated on 2024/08/01

data_Co3O14P2Pb3Te
_pd_phase_name Co3O14P2Pb3Te
_cell_length_a  5.2142200000
_cell_length_b  25.0579000000
_cell_length_c  14.4760000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0304000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2'
_symmetry_Int_Tables_Number  3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Pb61 1.0000000000 0.0000000000 0.5314000000 0.0000000000  Biso 1.0 Pb 1 a
Pb62 1.0000000000 0.0000000000 0.2060000000 0.0000000000  Biso 1.0 Pb 1 a
Pb63 1.0000000000 0.0000000000 0.8670000000 0.0000000000  Biso 1.0 Pb 1 a
Te73 1.0000000000 0.0000000000 0.3420000000 0.0000000000  Biso 1.0 Te 1 a
Te74 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Te 1 a
Te75 1.0000000000 0.0000000000 0.6640000000 0.0000000000  Biso 1.0 Te 1 a
Pb64 1.0000000000 0.0000000000 0.0266000000 0.5000000000  Biso 1.0 Pb 1 b
Pb65 1.0000000000 0.0000000000 0.7080000000 0.5000000000  Biso 1.0 Pb 1 b
Pb66 1.0000000000 0.0000000000 0.3690000000 0.5000000000  Biso 1.0 Pb 1 b
Te76 1.0000000000 0.0000000000 0.8460000000 0.5000000000  Biso 1.0 Te 1 b
Te77 1.0000000000 0.0000000000 0.5090000000 0.5000000000  Biso 1.0 Te 1 b
Te78 1.0000000000 0.0000000000 0.1680000000 0.5000000000  Biso 1.0 Te 1 b
Co1 1.0000000000 0.5000000000 0.4250000000 0.0000000000  Biso 1.0 Co 1 c
Co2 1.0000000000 0.5000000000 0.0840000000 0.0000000000  Biso 1.0 Co 1 c
Co3 1.0000000000 0.5000000000 0.7520000000 0.0000000000  Biso 1.0 Co 1 c
Co4 1.0000000000 0.5000000000 0.9270000000 0.5000000000  Biso 1.0 Co 1 d
Co5 1.0000000000 0.5000000000 0.5910000000 0.5000000000  Biso 1.0 Co 1 d
Co6 1.0000000000 0.5000000000 0.2480000000 0.5000000000  Biso 1.0 Co 1 d
Co10 1.0000000000 0.4850000000 0.7970000000 0.6260000000  Biso 1.0 Co 2 e
Co11 1.0000000000 0.4880000000 0.6290000000 0.1200000000  Biso 1.0 Co 2 e
Co12 1.0000000000 0.4930000000 0.1290000000 0.6340000000  Biso 1.0 Co 2 e
Co7 1.0000000000 0.4970000000 0.9590000000 0.1140000000  Biso 1.0 Co 2 e
Co8 1.0000000000 0.5230000000 0.4630000000 0.6320000000  Biso 1.0 Co 2 e
Co9 1.0000000000 0.5100000000 0.3010000000 0.1190000000  Biso 1.0 Co 2 e
O13 1.0000000000 0.2100000000 0.2840000000 0.0500000000  Biso 1.0 O 2 e
O14 1.0000000000 0.2300000000 0.3520000000 0.8990000000  Biso 1.0 O 2 e
O15 1.0000000000 0.2000000000 0.3960000000 0.0680000000  Biso 1.0 O 2 e
O16 1.0000000000 0.2100000000 0.7850000000 0.5410000000  Biso 1.0 O 2 e
O17 1.0000000000 0.2200000000 0.8460000000 0.3930000000  Biso 1.0 O 2 e
O18 1.0000000000 0.2100000000 0.8940000000 0.5690000000  Biso 1.0 O 2 e
O19 1.0000000000 0.1670000000 0.9460000000 0.0620000000  Biso 1.0 O 2 e
O20 1.0000000000 0.1900000000 0.0560000000 0.0570000000  Biso 1.0 O 2 e
O21 1.0000000000 0.2100000000 0.0080000000 0.8920000000  Biso 1.0 O 2 e
O22 1.0000000000 0.2200000000 0.4520000000 0.5480000000  Biso 1.0 O 2 e
O23 1.0000000000 0.2300000000 0.5150000000 0.4020000000  Biso 1.0 O 2 e
O24 1.0000000000 0.2200000000 0.5600000000 0.5620000000  Biso 1.0 O 2 e
O25 1.0000000000 0.2200000000 0.6080000000 0.0470000000  Biso 1.0 O 2 e
O26 1.0000000000 0.2100000000 0.6740000000 0.8930000000  Biso 1.0 O 2 e
O27 1.0000000000 0.2100000000 0.7150000000 0.0650000000  Biso 1.0 O 2 e
O28 1.0000000000 0.2100000000 0.1070000000 0.5390000000  Biso 1.0 O 2 e
O29 1.0000000000 0.2200000000 0.1730000000 0.3970000000  Biso 1.0 O 2 e
O30 1.0000000000 0.2000000000 0.2200000000 0.5670000000  Biso 1.0 O 2 e
O31 1.0000000000 0.2530000000 0.8390000000 0.1660000000  Biso 1.0 O 2 e
O32 1.0000000000 0.6500000000 0.8890000000 0.1360000000  Biso 1.0 O 2 e
O33 1.0000000000 0.6500000000 0.7900000000 0.1040000000  Biso 1.0 O 2 e
O34 1.0000000000 0.6700000000 0.8220000000 0.2620000000  Biso 1.0 O 2 e
O35 1.0000000000 0.7370000000 0.3380000000 0.3320000000  Biso 1.0 O 2 e
O36 1.0000000000 0.3500000000 0.2880000000 0.3930000000  Biso 1.0 O 2 e
O37 1.0000000000 0.3300000000 0.3300000000 0.2370000000  Biso 1.0 O 2 e
O38 1.0000000000 0.3400000000 0.3880000000 0.3770000000  Biso 1.0 O 2 e
O39 1.0000000000 0.2460000000 0.1720000000 0.1630000000  Biso 1.0 O 2 e
O40 1.0000000000 0.6600000000 0.1320000000 0.0950000000  Biso 1.0 O 2 e
O41 1.0000000000 0.6700000000 0.1630000000 0.2560000000  Biso 1.0 O 2 e
O42 1.0000000000 0.6400000000 0.2270000000 0.1220000000  Biso 1.0 O 2 e
O43 1.0000000000 0.7440000000 0.6750000000 0.3280000000  Biso 1.0 O 2 e
O44 1.0000000000 0.3400000000 0.6290000000 0.3970000000  Biso 1.0 O 2 e
O45 1.0000000000 0.3400000000 0.6680000000 0.2320000000  Biso 1.0 O 2 e
O46 1.0000000000 0.3500000000 0.7270000000 0.3630000000  Biso 1.0 O 2 e
O47 1.0000000000 0.2110000000 0.5130000000 0.1600000000  Biso 1.0 O 2 e
O48 1.0000000000 0.6370000000 0.4850000000 0.0780000000  Biso 1.0 O 2 e
O49 1.0000000000 0.5900000000 0.4610000000 0.2350000000  Biso 1.0 O 2 e
O50 1.0000000000 0.5770000000 0.5598000000 0.2020000000  Biso 1.0 O 2 e
O51 1.0000000000 0.7540000000 0.0020000000 0.3220000000  Biso 1.0 O 2 e
O52 1.0000000000 0.3400000000 0.9570000000 0.3920000000  Biso 1.0 O 2 e
O53 1.0000000000 0.3120000000 0.9910000000 0.2360000000  Biso 1.0 O 2 e
O54 1.0000000000 0.3600000000 0.0530000000 0.3690000000  Biso 1.0 O 2 e
P55 1.0000000000 0.5460000000 0.8340000000 0.1676000000  Biso 1.0 P 2 e
P56 1.0000000000 0.4430000000 0.3360000000 0.3351000000  Biso 1.0 P 2 e
P57 1.0000000000 0.5400000000 0.1739000000 0.1608000000  Biso 1.0 P 2 e
P58 1.0000000000 0.4500000000 0.6723000000 0.3314000000  Biso 1.0 P 2 e
P59 1.0000000000 0.5000000000 0.5040000000 0.1667000000  Biso 1.0 P 2 e
P60 1.0000000000 0.4600000000 0.0001000000 0.3273000000  Biso 1.0 P 2 e
Pb67 1.0000000000 0.9900000000 0.9047000000 0.2941000000  Biso 1.0 Pb 2 e
Pb68 1.0000000000 0.0030000000 0.4060000000 0.7848000000  Biso 1.0 Pb 2 e
Pb69 1.0000000000 0.0090000000 0.2373000000 0.2950000000  Biso 1.0 Pb 2 e
Pb70 1.0000000000 0.9870000000 0.7370000000 0.8000000000  Biso 1.0 Pb 2 e
Pb71 1.0000000000 0.0130000000 0.5775000000 0.2930000000  Biso 1.0 Pb 2 e
Pb72 1.0000000000 0.9980000000 0.0712000000 0.8060000000  Biso 1.0 Pb 2 e
