data_[Tl2In6Sn2Bi2]
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
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5229]
_cell_length_b [5.2543]
_cell_length_c [9.3499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlIn3SnBi]
_chemical_formula_sum '[Tl2 In6 Sn2 Bi2]'
_cell_volume [350.4235]
_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  0.4946  0.2500  0.3734  1.0
  In  In1  2  0.1607  0.7500  0.7783  1.0
  In  In2  2  0.1611  0.2500  0.0421  1.0
  In  In3  2  0.1705  0.2500  0.5467  1.0
  Sn  Sn4  2  0.1395  0.7500  0.2823  1.0
  Bi  Bi5  2  0.4647  0.7500  0.1132  1.0
]