data_[Cs8Bi8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.8836]
_cell_length_b [7.8936]
_cell_length_c [13.8816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [CsBi]
_chemical_formula_sum '[Cs8 Bi8]'
_cell_volume [863.8452]
_cell_formula_units_Z [8]
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  4  0.0892  0.5971  0.0819  1.0
  Cs  Cs1  4  0.1729  0.8584  0.7056  1.0
  Bi  Bi2  4  0.0848  0.0570  0.9633  1.0
  Bi  Bi3  4  0.1743  0.6698  0.3830  1.0
]