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 [P2_1/c]
_cell_length_a [5.5381]
_cell_length_b [12.1046]
_cell_length_c [8.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3(TlBi)2]
_chemical_formula_sum '[Na6 Tl4 Bi4]'
_cell_volume [455.4258]
_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  0.2437  0.5885  0.9711  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.4611  0.1890  0.7642  1
  Bi  Bi3  4  0.0148  0.6598  0.2252  1
]