# 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:  AuF3

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/AB3_hP24_178_b_ac-001

# Last updated on 2024/08/01

data_Au6F18
_pd_phase_name Au6F18
_cell_length_a  5.1508000000
_cell_length_b  5.1508000000
_cell_length_c  16.2637000000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  120.0000000000
_symmetry_space_group_name_H-M  'P6_{1}22'
_symmetry_Int_Tables_Number  178
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  -x,-y,z+1/2
  5  y,-x+y,z+5/6
  6  x-y,x,z+1/6
  7  y,x,-z+1/3
  8  x-y,-y,-z
  9  -x,-x+y,-z+2/3
  10  -y,-x,-z+5/6
  11  -x+y,y,-z+1/2
  12  x,x-y,-z+1/6
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
F2 1.0000000000 0.1639000000 -0.0000000000 0.0000000000  Biso 1.0 F 6 a
Au1 1.0000000000 0.2399000000 0.4798000000 0.2500000000  Biso 1.0 Au 6 b
F3 1.0000000000 0.7761000000 0.3099000000 0.0053000000  Biso 1.0 F 12 c
