data_[Tl2In2Bi2]
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 [P2_1/m]
_cell_length_a [5.2834]
_cell_length_b [5.2961]
_cell_length_c [7.5323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlInBi]
_chemical_formula_sum '[Tl2 In2 Bi2]'
_cell_volume [210.7472]
_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  2  0.2551  0.2500  0.8290  1.0
  In  In1  2  0.2505  0.7500  0.4995  1.0
  Bi  Bi2  2  0.2460  0.2500  0.2706  1.0
]