# 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:  Cd4GeS6

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A4BC6_mC44_9_4a_a_6a-001

# Last updated on 2024/08/01

data_Cd16Ge4S24
_pd_phase_name Cd16Ge4S24
_cell_length_a  12.3460000000
_cell_length_b  7.0840000000
_cell_length_c  20.2774432446
_cell_angle_alpha  90.0000000000
_cell_angle_beta  145.0482671690
_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
Cd1 1.0000000000 0.3471000000 0.6439000000 0.0030000000  Biso 1.0 Cd 4 a
Cd2 1.0000000000 -0.0000000000 0.6684000000 0.0000000000  Biso 1.0 Cd 4 a
Cd3 1.0000000000 0.5063000000 0.1343000000 0.1911000000  Biso 1.0 Cd 4 a
Cd4 1.0000000000 0.9783000000 0.9467000000 0.3448000000  Biso 1.0 Cd 4 a
Ge5 1.0000000000 0.8198000000 0.4801000000 0.2534000000  Biso 1.0 Ge 4 a
S10 1.0000000000 0.0824000000 0.5283000000 0.4399000000  Biso 1.0 S 4 a
S11 1.0000000000 0.8342000000 0.0263000000 0.3854000000  Biso 1.0 S 4 a
S6 1.0000000000 0.3456000000 0.7315000000 0.2038000000  Biso 1.0 S 4 a
S7 1.0000000000 0.5776000000 0.4861000000 0.1998000000  Biso 1.0 S 4 a
S8 1.0000000000 0.8287000000 0.5050000000 0.5063000000  Biso 1.0 S 4 a
S9 1.0000000000 0.1811000000 0.2329000000 0.0709000000  Biso 1.0 S 4 a
