data_[Tl1In1Sn1Bi1]
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 [P4mm]
_cell_length_a [3.4172]
_cell_length_b [3.4172]
_cell_length_c [10.2192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TlInSnBi]
_chemical_formula_sum '[Tl1 In1 Sn1 Bi1]'
_cell_volume [119.3314]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0647  1.0
  In  In1  1  0.5000  0.5000  0.8116  1.0
  Sn  Sn2  1  0.0000  0.0000  0.5831  1.0
  Bi  Bi3  1  0.5000  0.5000  0.3253  1.0
]