data_[Tl16Cd20Bi24]
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 [Cmc2_1]
_cell_length_a [4.8550]
_cell_length_b [21.6023]
_cell_length_c [18.6136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl4Cd5Bi6]
_chemical_formula_sum '[Tl16 Cd20 Bi24]'
_cell_volume [1952.1981]
_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  0.0000  0.0034  0.4923  1
  Tl  Tl1  4  0.0000  0.0296  0.7651  1
  Tl  Tl2  4  0.0000  0.1650  0.2975  1
  Tl  Tl3  4  0.0000  0.1715  0.9515  1
  Cd  Cd4  4  0.0000  0.1490  0.6331  1
  Cd  Cd5  4  0.0000  0.2931  0.6368  1
  Cd  Cd6  4  0.0000  0.3526  0.9854  1
  Cd  Cd7  4  0.0000  0.3536  0.2504  1
  Cd  Cd8  4  0.0000  0.4351  0.6914  1
  Bi  Bi9  4  0.0000  0.1179  0.1167  1
  Bi  Bi10  4  0.0000  0.2259  0.7792  1
  Bi  Bi11  4  0.0000  0.2278  0.4917  1
  Bi  Bi12  4  0.0000  0.4251  0.3921  1
  Bi  Bi13  4  0.0000  0.4375  0.8553  1
  Bi  Bi14  4  0.0000  0.4386  0.1170  1
]