# 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:  A3B_hP24_151_3c_2a-001 Cl3Cr D04

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3B_hP24_151_3c_2a-001

# Last updated on 2024/08/01
data_Cl18Cr6
_pd_phase_name Cl18Cr6
_cell_length_a  6.0170000000
_cell_length_b  6.0170000000
_cell_length_c  17.3000000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P3_{1}12'
_symmetry_Int_Tables_Number  151
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z+1/3
  3  -x+y,-x,z+2/3
  4  -y,-x,-z+2/3
  5  -x+y,y,-z+1/3
  6  x,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
Cr4 1.0000000000 0.8889000000 0.1111000000 0.3333333333  Biso 1.0 Cr 3 a
Cr5 1.0000000000 0.5556000000 0.4444000000 0.3333333333  Biso 1.0 Cr 3 a
Cl1 1.0000000000 0.8889000000 0.1111000000 0.0731033333  Biso 1.0 Cl 6 c
Cl2 1.0000000000 0.5556000000 0.4444000000 0.0731033333  Biso 1.0 Cl 6 c
Cl3 1.0000000000 0.2222000000 0.7777800000 0.0731033333  Biso 1.0 Cl 6 c
