data_[Tl20In12Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3957]
_cell_length_b [9.1177]
_cell_length_c [12.7430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5In3Bi]
_chemical_formula_sum '[Tl20 In12 Bi4]'
_cell_volume [1207.8514]
_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  8  0.2495  0.2513  0.6668  1
  Tl  Tl1  4  0.0000  0.3229  0.0000  1
  Tl  Tl2  4  0.0031  0.5000  0.7143  1
  Tl  Tl3  4  0.2407  0.5000  0.1295  1
  In  In4  4  0.1664  0.5000  0.4975  1
  In  In5  4  0.2405  0.5000  0.8704  1
  In  In6  2  0.0000  0.0000  0.0000  1
  In  In7  2  0.0000  0.0000  0.5000  1
  Bi  Bi8  4  0.0050  0.0000  0.2623  1
]