data_[Na6Tl4Bi4]
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 [C2/m]
_cell_length_a [10.1771]
_cell_length_b [5.2467]
_cell_length_c [9.4259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(TlBi)2]
_chemical_formula_sum '[Na6 Tl4 Bi4]'
_cell_volume [462.4943]
_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  4  0.1129  0.5000  0.3907  1.0
  Na  Na1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.1192  0.0000  0.8446  1.0
  Bi  Bi3  4  0.2296  0.0000  0.2307  1.0
]