data_[Cs8Al4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8542]
_cell_length_b [7.3915]
_cell_length_c [10.6250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2AlBi2]
_chemical_formula_sum '[Cs8 Al4 Bi8]'
_cell_volume [1082.2217]
_cell_formula_units_Z [4]
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  0.1320  0.0000  0.3943  1.0
  Cs  Cs1  4  0.2394  0.5000  0.8685  1.0
  Al  Al2  4  0.0024  0.5000  0.8593  1.0
  Bi  Bi3  4  0.0665  0.5000  0.4411  1.0
  Bi  Bi4  4  0.1667  0.5000  0.1540  1.0
]