data_[Tl4Sn6Bi4]
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 [12.0742]
_cell_length_b [4.4182]
_cell_length_c [8.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Sn3Bi2]
_chemical_formula_sum '[Tl4 Sn6 Bi4]'
_cell_volume [448.1182]
_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  0.1093  0.5000  0.2989  1.0
  Sn  Sn1  4  0.1880  0.5000  0.8822  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.1121  0.0000  0.6390  1.0
]