# 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:  LiO4PZn

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4CD_mC224_9_8a_32a_8a_8a-001

# Last updated on 2024/08/01

data_Li32O128P32Zn32
_pd_phase_name Li32O128P32Zn32
_cell_length_a  17.2500000000
_cell_length_b  9.7670000000
_cell_length_c  17.1060000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  110.9000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'Cc'
_symmetry_Int_Tables_Number  9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  x,-y,z+1/2
  3  x+1/2,y+1/2,z
  4  x+1/2,-y+1/2,z+1/2
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
Li1 1.0000000000 0.7127000000 0.8063000000 0.9097000000  Biso 1.0 Li 4 a
Li2 1.0000000000 0.6766000000 0.2812000000 0.9120000000  Biso 1.0 Li 4 a
Li3 1.0000000000 0.4654000000 0.3219000000 0.6607000000  Biso 1.0 Li 4 a
Li4 1.0000000000 0.4970000000 0.7902000000 0.6620000000  Biso 1.0 Li 4 a
Li5 1.0000000000 0.7152000000 0.0668000000 0.6605000000  Biso 1.0 Li 4 a
Li6 1.0000000000 0.7441000000 0.5392000000 0.6601000000  Biso 1.0 Li 4 a
Li7 1.0000000000 0.9553000000 0.0636000000 0.9110000000  Biso 1.0 Li 4 a
Li8 1.0000000000 0.9306000000 0.5360000000 0.9138000000  Biso 1.0 Li 4 a
O10 1.0000000000 0.7227000000 0.6544000000 0.9906000000  Biso 1.0 O 4 a
O11 1.0000000000 0.6301000000 0.4710000000 0.8952000000  Biso 1.0 O 4 a
O12 1.0000000000 0.5689000000 0.6502000000 0.9616000000  Biso 1.0 O 4 a
O13 1.0000000000 0.5426000000 0.9675000000 0.9844000000  Biso 1.0 O 4 a
O14 1.0000000000 0.1964000000 0.5013000000 0.0518000000  Biso 1.0 O 4 a
O15 1.0000000000 0.6046000000 0.1866000000 0.9596000000  Biso 1.0 O 4 a
O16 1.0000000000 0.6366000000 0.9658000000 0.8990000000  Biso 1.0 O 4 a
O17 1.0000000000 0.6577000000 0.2208000000 0.7990000000  Biso 1.0 O 4 a
O18 1.0000000000 0.6326000000 0.2152000000 0.6478000000  Biso 1.0 O 4 a
O19 1.0000000000 0.7285000000 0.3965000000 0.7390000000  Biso 1.0 O 4 a
O20 1.0000000000 0.5748000000 0.4096000000 0.7055000000  Biso 1.0 O 4 a
O21 1.0000000000 0.6024000000 0.7484000000 0.6476000000  Biso 1.0 O 4 a
O22 1.0000000000 0.6654000000 0.7188000000 0.8007000000  Biso 1.0 O 4 a
O23 1.0000000000 0.7570000000 0.7253000000 0.7125000000  Biso 1.0 O 4 a
O24 1.0000000000 0.6903000000 0.9389000000 0.7372000000  Biso 1.0 O 4 a
O25 1.0000000000 0.3810000000 0.2727000000 0.3964000000  Biso 1.0 O 4 a
O26 1.0000000000 0.2906000000 0.2807000000 0.4846000000  Biso 1.0 O 4 a
O27 1.0000000000 0.3539000000 0.0623000000 0.4604000000  Biso 1.0 O 4 a
O28 1.0000000000 0.4452000000 0.2497000000 0.5496000000  Biso 1.0 O 4 a
O29 1.0000000000 0.8839000000 0.7229000000 0.8986000000  Biso 1.0 O 4 a
O30 1.0000000000 0.8213000000 0.8992000000 0.9610000000  Biso 1.0 O 4 a
O31 1.0000000000 0.4131000000 0.2165000000 0.0510000000  Biso 1.0 O 4 a
O32 1.0000000000 0.9745000000 0.9047000000 0.9905000000  Biso 1.0 O 4 a
O33 1.0000000000 0.4403000000 0.1879000000 0.7373000000  Biso 1.0 O 4 a
O34 1.0000000000 0.3497000000 0.0013000000 0.6467000000  Biso 1.0 O 4 a
O35 1.0000000000 0.5051000000 0.9711000000 0.7132000000  Biso 1.0 O 4 a
O36 1.0000000000 0.4129000000 0.9715000000 0.8000000000  Biso 1.0 O 4 a
O37 1.0000000000 0.4802000000 0.6471000000 0.7387000000  Biso 1.0 O 4 a
O38 1.0000000000 0.4146000000 0.4731000000 0.8001000000  Biso 1.0 O 4 a
O39 1.0000000000 0.8268000000 0.1591000000 0.7065000000  Biso 1.0 O 4 a
O40 1.0000000000 0.3849000000 0.4634000000 0.6474000000  Biso 1.0 O 4 a
O9 1.0000000000 0.1644000000 0.9647000000 0.0495000000  Biso 1.0 O 4 a
P41 1.0000000000 0.6467000000 0.5630000000 0.9748000000  Biso 1.0 P 4 a
P42 1.0000000000 0.6189000000 0.0314000000 0.9732000000  Biso 1.0 P 4 a
P43 1.0000000000 0.6493000000 0.3119000000 0.7225000000  Biso 1.0 P 4 a
P44 1.0000000000 0.6797000000 0.7841000000 0.7244000000  Biso 1.0 P 4 a
P45 1.0000000000 0.3668000000 0.2174000000 0.4731000000  Biso 1.0 P 4 a
P46 1.0000000000 0.8982000000 0.8114000000 0.9753000000  Biso 1.0 P 4 a
P47 1.0000000000 0.4277000000 0.0320000000 0.7241000000  Biso 1.0 P 4 a
P48 1.0000000000 0.4010000000 0.5612000000 0.7223000000  Biso 1.0 P 4 a
Zn49 1.0000000000 0.5510000000 0.2137000000 0.5361000000  Biso 1.0 Zn 4 a
Zn50 1.0000000000 0.3013000000 0.4639000000 0.5355000000  Biso 1.0 Zn 4 a
Zn51 1.0000000000 0.0833000000 0.8172000000 0.0364000000  Biso 1.0 Zn 4 a
Zn52 1.0000000000 0.8380000000 0.3106000000 0.7854000000  Biso 1.0 Zn 4 a
Zn53 1.0000000000 0.5902000000 0.5624000000 0.7852000000  Biso 1.0 Zn 4 a
Zn54 1.0000000000 0.8692000000 0.7859000000 0.7860000000  Biso 1.0 Zn 4 a
Zn55 1.0000000000 0.3326000000 0.9297000000 0.5367000000  Biso 1.0 Zn 4 a
Zn56 1.0000000000 0.6160000000 0.0341000000 0.7849000000  Biso 1.0 Zn 4 a
