# 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:  STl

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB_mC256_5_2a2b30c_32c-001

# Last updated on 2024/08/01

data_S128Tl128
_pd_phase_name S128Tl128
_cell_length_a  11.0180000000
_cell_length_b  11.0390000000
_cell_length_c  60.1600000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  100.6900000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'C2'
_symmetry_Int_Tables_Number  5
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y,-z
  3  x+1/2,y+1/2,z
  4  -x+1/2,y+1/2,-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
S1 1.0000000000 0.0000000000 0.4400000000 0.0000000000  Biso 1.0 S 2 a
S2 1.0000000000 0.0000000000 0.9100000000 0.0000000000  Biso 1.0 S 2 a
S3 1.0000000000 0.0000000000 0.4400000000 0.5000000000  Biso 1.0 S 2 b
S4 1.0000000000 0.0000000000 0.9100000000 0.5000000000  Biso 1.0 S 2 b
S10 1.0000000000 0.2620000000 0.1600000000 0.7560000000  Biso 1.0 S 4 c
S11 1.0000000000 0.5110000000 0.6490000000 0.0500000000  Biso 1.0 S 4 c
S12 1.0000000000 0.0450000000 0.1810000000 0.3000000000  Biso 1.0 S 4 c
S13 1.0000000000 0.0910000000 0.2040000000 0.5530000000  Biso 1.0 S 4 c
S14 1.0000000000 0.0560000000 0.1920000000 0.8020000000  Biso 1.0 S 4 c
S15 1.0000000000 0.2760000000 0.9040000000 0.0520000000  Biso 1.0 S 4 c
S16 1.0000000000 0.8310000000 0.4510000000 0.3000000000  Biso 1.0 S 4 c
S17 1.0000000000 0.3290000000 0.9860000000 0.5500000000  Biso 1.0 S 4 c
S18 1.0000000000 0.3490000000 0.9730000000 0.8010000000  Biso 1.0 S 4 c
S19 1.0000000000 0.7100000000 0.0490000000 0.0780000000  Biso 1.0 S 4 c
S20 1.0000000000 0.7150000000 0.0770000000 0.3240000000  Biso 1.0 S 4 c
S21 1.0000000000 0.7410000000 0.1030000000 0.5780000000  Biso 1.0 S 4 c
S22 1.0000000000 0.6950000000 0.0500000000 0.8230000000  Biso 1.0 S 4 c
S23 1.0000000000 0.4100000000 0.2660000000 0.0780000000  Biso 1.0 S 4 c
S24 1.0000000000 0.9340000000 0.7860000000 0.3270000000  Biso 1.0 S 4 c
S25 1.0000000000 0.9750000000 0.8280000000 0.5770000000  Biso 1.0 S 4 c
S26 1.0000000000 0.4700000000 0.3420000000 0.8210000000  Biso 1.0 S 4 c
S27 1.0000000000 0.7610000000 0.3170000000 0.1240000000  Biso 1.0 S 4 c
S28 1.0000000000 0.7640000000 0.3120000000 0.3710000000  Biso 1.0 S 4 c
S29 1.0000000000 0.2560000000 0.7990000000 0.6300000000  Biso 1.0 S 4 c
S30 1.0000000000 0.2590000000 0.8030000000 0.8720000000  Biso 1.0 S 4 c
S31 1.0000000000 0.9600000000 0.0660000000 0.1240000000  Biso 1.0 S 4 c
S32 1.0000000000 0.0020000000 0.0730000000 0.3710000000  Biso 1.0 S 4 c
S33 1.0000000000 0.5160000000 0.0410000000 0.1250000000  Biso 1.0 S 4 c
S34 1.0000000000 0.5250000000 0.0460000000 0.3790000000  Biso 1.0 S 4 c
S5 1.0000000000 0.0000000000 0.9300000000 0.2500000000  Biso 1.0 S 4 c
S6 1.0000000000 0.5040000000 0.9630000000 0.2480000000  Biso 1.0 S 4 c
S7 1.0000000000 0.2730000000 0.1890000000 0.0040000000  Biso 1.0 S 4 c
S8 1.0000000000 0.7760000000 0.7000000000 0.2510000000  Biso 1.0 S 4 c
S9 1.0000000000 0.2420000000 0.1540000000 0.4910000000  Biso 1.0 S 4 c
Tl35 1.0000000000 0.3960000000 0.8090000000 0.0235000000  Biso 1.0 Tl 4 c
Tl36 1.0000000000 0.9050000000 0.3070000000 0.2737000000  Biso 1.0 Tl 4 c
Tl37 1.0000000000 0.9040000000 0.3030000000 0.5255000000  Biso 1.0 Tl 4 c
Tl38 1.0000000000 0.3960000000 0.8090000000 0.7743000000  Biso 1.0 Tl 4 c
Tl39 1.0000000000 0.1460000000 0.0550000000 0.0258000000  Biso 1.0 Tl 4 c
Tl40 1.0000000000 0.1560000000 0.0630000000 0.2748000000  Biso 1.0 Tl 4 c
Tl41 1.0000000000 0.1410000000 0.0560000000 0.5242000000  Biso 1.0 Tl 4 c
Tl42 1.0000000000 0.1560000000 0.0680000000 0.7745000000  Biso 1.0 Tl 4 c
Tl43 1.0000000000 0.7770000000 0.9490000000 0.0309000000  Biso 1.0 Tl 4 c
Tl44 1.0000000000 0.7850000000 0.9400000000 0.2819000000  Biso 1.0 Tl 4 c
Tl45 1.0000000000 0.7860000000 0.9150000000 0.5320000000  Biso 1.0 Tl 4 c
Tl46 1.0000000000 0.2910000000 0.4470000000 0.7817000000  Biso 1.0 Tl 4 c
Tl47 1.0000000000 0.5610000000 0.2080000000 0.0332000000  Biso 1.0 Tl 4 c
Tl48 1.0000000000 0.5330000000 0.1830000000 0.2828000000  Biso 1.0 Tl 4 c
Tl49 1.0000000000 0.0170000000 0.6600000000 0.5344000000  Biso 1.0 Tl 4 c
Tl50 1.0000000000 0.5560000000 0.2070000000 0.7835000000  Biso 1.0 Tl 4 c
Tl51 1.0000000000 0.4940000000 0.8240000000 0.0926000000  Biso 1.0 Tl 4 c
Tl52 1.0000000000 0.9680000000 0.3230000000 0.3410000000  Biso 1.0 Tl 4 c
Tl53 1.0000000000 0.9550000000 0.2910000000 0.5921000000  Biso 1.0 Tl 4 c
Tl54 1.0000000000 0.4790000000 0.8110000000 0.8416000000  Biso 1.0 Tl 4 c
Tl55 1.0000000000 0.2510000000 0.0790000000 0.0922000000  Biso 1.0 Tl 4 c
Tl56 1.0000000000 0.2070000000 0.0520000000 0.3428000000  Biso 1.0 Tl 4 c
Tl57 1.0000000000 0.1930000000 0.0380000000 0.5913000000  Biso 1.0 Tl 4 c
Tl58 1.0000000000 0.2280000000 0.0690000000 0.8429000000  Biso 1.0 Tl 4 c
Tl59 1.0000000000 0.8630000000 0.9330000000 0.1014000000  Biso 1.0 Tl 4 c
Tl60 1.0000000000 0.8430000000 0.9240000000 0.3491000000  Biso 1.0 Tl 4 c
Tl61 1.0000000000 0.8640000000 0.9390000000 0.6009000000  Biso 1.0 Tl 4 c
Tl62 1.0000000000 0.3400000000 0.4310000000 0.8509000000  Biso 1.0 Tl 4 c
Tl63 1.0000000000 0.6020000000 0.1820000000 0.1008000000  Biso 1.0 Tl 4 c
Tl64 1.0000000000 0.6040000000 0.1850000000 0.3508000000  Biso 1.0 Tl 4 c
Tl65 1.0000000000 0.0960000000 0.6830000000 0.6016000000  Biso 1.0 Tl 4 c
Tl66 1.0000000000 0.6000000000 0.1820000000 0.8478000000  Biso 1.0 Tl 4 c
