data_[Tl4Cd12Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0607]
_cell_length_b [4.9629]
_cell_length_c [8.2559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlCd3Bi2]
_chemical_formula_sum '[Tl4 Cd12 Bi8]'
_cell_volume [708.6144]
_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
[
  Tl  Tl0  4  0.1120  0.0000  0.0550  1
  Cd  Cd1  4  0.0679  0.0000  0.4646  1
  Cd  Cd2  4  0.1334  0.5000  0.7753  1
  Cd  Cd3  4  0.1989  0.5000  0.4970  1
  Bi  Bi4  4  0.0228  0.5000  0.2175  1
  Bi  Bi5  4  0.2376  0.0000  0.7904  1
]