data_[Cs4Li12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9172]
_cell_length_b [5.0230]
_cell_length_c [8.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi3Bi2]
_chemical_formula_sum '[Cs4 Li12 Bi8]'
_cell_volume [728.3709]
_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  0.1670  0.0000  0.0874  1.0
  Li  Li1  4  0.0021  0.0000  0.6693  1.0
  Li  Li2  4  0.0895  0.5000  0.6427  1.0
  Li  Li3  4  0.1906  0.5000  0.4455  1.0
  Bi  Bi4  4  0.0243  0.5000  0.1876  1.0
  Bi  Bi5  4  0.1548  0.0000  0.5945  1.0
]