data_[Tl4In2Sn2Bi4]
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 [Pmc2_1]
_cell_length_a [5.6859]
_cell_length_b [9.5333]
_cell_length_c [7.0173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tl2InSnBi2]
_chemical_formula_sum '[Tl4 In2 Sn2 Bi4]'
_cell_volume [380.3737]
_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  0.0000  0.1648  0.2838  1.0
  Tl  Tl1  2  0.5000  0.0274  0.0184  1.0
  In  In2  2  0.0000  0.4952  0.0046  1.0
  Sn  Sn3  2  0.5000  0.3191  0.6956  1.0
  Bi  Bi4  2  0.0000  0.1904  0.7829  1.0
  Bi  Bi5  2  0.5000  0.3587  0.2602  1.0
]