data_[Cs8Bi1Au1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [9.2156]
_cell_length_b [9.2156]
_cell_length_c [10.9630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs8BiAuF2]
_chemical_formula_sum '[Cs8 Bi1 Au1 F2]'
_cell_volume [806.3105]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cs  Cs0  6  0.1654  0.3309  0.2248  1.0
  Cs  Cs1  2  0.3333  0.6667  0.5638  1.0
  Bi  Bi2  1  0.0000  0.0000  0.5000  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
  F  F4  2  0.3333  0.6667  0.3145  1.0
]