# 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:  AuBr4K

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB4C_mP24_14_ab_4e_e-001

# Last updated on 2024/08/01

data_Au4Br16K4
_pd_phase_name Au4Br16K4
_cell_length_a  9.0306000000
_cell_length_b  6.6484000000
_cell_length_c  12.8000000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  96.8800000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}/c'
_symmetry_Int_Tables_Number  14
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x,y+1/2,-z+1/2
  3  -x,-y,-z
  4  x,-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
Au1 1.0000000000 0.0000000000 0.0000000000 0.0000000000  Biso 1.0 Au 2 a
Au2 1.0000000000 0.5000000000 0.0000000000 0.0000000000  Biso 1.0 Au 2 b
Br3 1.0000000000 0.1334100000 0.2934000000 0.9523400000  Biso 1.0 Br 4 e
Br4 1.0000000000 0.9050800000 0.9462000000 0.8176600000  Biso 1.0 Br 4 e
Br5 1.0000000000 0.4944000000 0.1517000000 0.8293000000  Biso 1.0 Br 4 e
Br6 1.0000000000 0.3365000000 0.7336000000 0.9279300000  Biso 1.0 Br 4 e
K7 1.0000000000 0.7872000000 0.4492000000 0.8187000000  Biso 1.0 K 4 e
