data_[Cs4Tl4Bi4]
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 [13.6338]
_cell_length_b [5.4276]
_cell_length_c [9.2646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTlBi]
_chemical_formula_sum '[Cs4 Tl4 Bi4]'
_cell_volume [532.0736]
_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  0.0643  0.0000  0.8254  1
  Tl  Tl1  4  0.1882  0.5000  0.2958  1
  Bi  Bi2  4  0.1498  0.5000  0.6146  1
]