data_[Tl16Sn4Bi4]
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/c]
_cell_length_a [6.9298]
_cell_length_b [18.8288]
_cell_length_c [6.7306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl4SnBi]
_chemical_formula_sum '[Tl16 Sn4 Bi4]'
_cell_volume [769.8334]
_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  0.2462  0.4670  0.7458  1.0
  Tl  Tl1  8  0.2471  0.2833  0.7461  1.0
  Sn  Sn2  4  0.0000  0.3745  0.2500  1.0
  Bi  Bi3  4  0.0000  0.1242  0.7500  1.0
]