data_[Na6Tl4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.4904]
_cell_length_b [10.6393]
_cell_length_c [6.0074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na3Tl2Bi]
_chemical_formula_sum '[Na6 Tl4 Bi2]'
_cell_volume [350.9182]
_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
[
  Na  Na0  2  0.0000  0.4091  0.4292  1.0
  Na  Na1  2  0.5000  0.0896  0.1361  1.0
  Na  Na2  2  0.5000  0.2523  0.6141  1.0
  Tl  Tl3  2  0.0000  0.2621  0.9570  1.0
  Tl  Tl4  2  0.5000  0.4290  0.0848  1.0
  Bi  Bi5  2  0.0000  0.0845  0.4801  1.0
]