data_[Tl8Sn4Bi8]
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 [Cmcm]
_cell_length_a [6.7271]
_cell_length_b [17.6519]
_cell_length_c [5.9090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl2SnBi2]
_chemical_formula_sum '[Tl8 Sn4 Bi8]'
_cell_volume [701.6706]
_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  0.1904  0.2500  1.0
  Tl  Tl1  4  0.0000  0.4358  0.7500  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  8  0.2386  0.6360  0.7500  1.0
]