data_[Cs4Tl12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0377]
_cell_length_b [5.3791]
_cell_length_c [9.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl3Bi2]
_chemical_formula_sum '[Cs4 Tl12 Bi8]'
_cell_volume [967.5666]
_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  0.1408  0.0000  0.2137  1.0
  Tl  Tl1  4  0.0443  0.0000  0.6866  1.0
  Tl  Tl2  4  0.1037  0.5000  0.5275  1.0
  Tl  Tl3  4  0.1841  0.5000  0.9219  1.0
  Bi  Bi4  4  0.0184  0.5000  0.8412  1.0
  Bi  Bi5  4  0.2023  0.0000  0.7264  1.0
]