# 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:  Cl9K3W2 K71

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A9B3C2_hP28_176_hi_af_f-001

# Last updated on 2024/08/01

data_Cl18K6W4
_pd_phase_name Cl18K6W4
_cell_length_a  7.1700000000
_cell_length_b  7.1700000000
_cell_length_c  16.2500000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{3}/m'
_symmetry_Int_Tables_Number  176
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -y,x-y,z
  3  -x+y,-x,z
  4  -x,-y,z+1/2
  5  y,-x+y,z+1/2
  6  x-y,x,z+1/2
  7  -x,-y,-z
  8  y,-x+y,-z
  9  x-y,x,-z
  10  x,y,-z+1/2
  11  -y,x-y,-z+1/2
  12  -x+y,-x,-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
K3 1.0000000000 0.0000033333 0.9999966667 0.2500000000  Biso 1.0 K 2 a
K4 1.0000000000 0.3333333333 0.6666666667 0.5718000000  Biso 1.0 K 4 f
W5 1.0000000000 0.3333333333 0.6666666667 0.3241000000  Biso 1.0 W 4 f
Cl1 1.0000000000 0.4588033333 0.4471966667 0.2500000000  Biso 1.0 Cl 6 h
Cl2 1.0000000000 0.1348033333 0.3505966667 0.4074000000  Biso 1.0 Cl 12 i
