data_[Tl6Cd12Bi10]
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 [Pmmn]
_cell_length_a [4.8634]
_cell_length_b [14.4644]
_cell_length_c [12.1753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl3Cd6Bi5]
_chemical_formula_sum '[Tl6 Cd12 Bi10]'
_cell_volume [856.4928]
_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  4  0.0000  0.3113  0.7491  1
  Tl  Tl1  2  0.0000  0.0000  0.7496  1
  Cd  Cd2  4  0.0000  0.1471  0.0256  1
  Cd  Cd3  4  0.0000  0.3283  0.3745  1
  Cd  Cd4  2  0.0000  0.5000  0.5756  1
  Cd  Cd5  2  0.0000  0.5000  0.9525  1
  Bi  Bi6  4  0.0000  0.1328  0.4813  1
  Bi  Bi7  4  0.0000  0.3401  0.1283  1
  Bi  Bi8  2  0.0000  0.0000  0.2105  1
]