data_[Tl4Zn2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4540]
_cell_length_b [7.4540]
_cell_length_c [5.8266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Tl2ZnBi2]
_chemical_formula_sum '[Tl4 Zn2 Bi4]'
_cell_volume [323.7393]
_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  0.1668  0.3332  0.5000  1.0
  Zn  Zn1  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi2  4  0.1487  0.6487  0.0000  1.0
]