data_[Tl16Cd4Bi2]
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 [16.6740]
_cell_length_b [6.7445]
_cell_length_c [6.2459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8Cd2Bi]
_chemical_formula_sum '[Tl16 Cd4 Bi2]'
_cell_volume [702.3905]
_cell_formula_units_Z [2]
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  8  0.0917  0.2538  0.3957  1.0
  Tl  Tl1  4  0.0912  0.5000  0.9004  1.0
  Tl  Tl2  4  0.2051  0.0000  0.8878  1.0
  Cd  Cd3  4  0.2466  0.5000  0.6051  1.0
  Bi  Bi4  2  0.0000  0.0000  0.0000  1.0
]