data_[Tl4In6Bi4]
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 [11.2359]
_cell_length_b [5.3805]
_cell_length_c [7.0478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2In3Bi2]
_chemical_formula_sum '[Tl4 In6 Bi4]'
_cell_volume [426.0194]
_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  0.0677  0.5000  0.2750  1.0
  In  In1  4  0.2239  0.5000  0.8488  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.1365  0.0000  0.5776  1.0
]