data_[Cs4Bi2Au2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8881]
_cell_length_b [5.2426]
_cell_length_c [11.0369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2BiAu]
_chemical_formula_sum '[Cs4 Bi2 Au2]'
_cell_volume [394.8452]
_cell_formula_units_Z [2]
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  2  0.2237  0.2500  0.4120  1.0
  Cs  Cs1  2  0.2731  0.7500  0.0591  1.0
  Bi  Bi2  2  0.1955  0.2500  0.7640  1.0
  Au  Au3  2  0.3167  0.7500  0.7259  1.0
]