data_[Tl12Sn4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4957]
_cell_length_b [5.0302]
_cell_length_c [10.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3SnBi2]
_chemical_formula_sum '[Tl12 Sn4 Bi8]'
_cell_volume [865.7286]
_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  0.0237  0.0000  0.1771  1.0
  Tl  Tl1  4  0.1218  0.5000  0.0573  1.0
  Tl  Tl2  4  0.2126  0.0000  0.6001  1.0
  Sn  Sn3  4  0.0887  0.5000  0.6900  1.0
  Bi  Bi4  4  0.1000  0.5000  0.4038  1.0
  Bi  Bi5  4  0.1777  0.0000  0.8851  1.0
]