data_[Na4Tl4Bi6]
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 [10.3501]
_cell_length_b [5.2248]
_cell_length_c [8.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl2Bi3]
_chemical_formula_sum '[Na4 Tl4 Bi6]'
_cell_volume [430.1987]
_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  0.2121  0.0000  0.1467  1.0
  Tl  Tl1  4  0.0745  0.0000  0.7223  1.0
  Bi  Bi2  4  0.1333  0.5000  0.4230  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
]