# 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:  Cd8As7Cl

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A7B12C_cP20_195_ag_3e_b-001 

# Last updated on 2025/08/09

data_Cd8As7Cl
_pd_phase_name Cd8As7Cl
_cell_length_a  7.2660000000
_cell_length_b  7.2660000000
_cell_length_c  7.2660000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P23'
_symmetry_Int_Tables_Number  195
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,-y,z
  3  -x,y,-z
  4  x,-y,-z
  5  z,x,y
  6  z,-x,-y
  7  -z,-x,y
  8  -z,x,-y
  9  y,z,x
  10  -y,z,-x
  11  y,-z,-x
  12  -y,-z,x
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
As1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 As 1 a
Cl2 1.0000000000 0.5000000000 0.5000000000 0.5000000000  Biso 1.0 Cl 1 b
Cd3 1.0000000000 0.2170000000 0.2170000000 0.2170000000  Biso 1.0 Cd 4 e
Cd4 1.0000000000 0.7158000000 0.7158000000 0.7158000000  Biso 1.0 Cd 4 e
Cd5 1.0000000000 0.7637000000 0.7637000000 0.7637000000  Biso 1.0 Cd 4 e
As6 1.0000000000 0.3328000000 0.0000000000 0.5000000000  Biso 1.0 As 6 g
