data_[Na2Tl6Bi2]
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 [Pmmn]
_cell_length_a [4.9693]
_cell_length_b [8.4882]
_cell_length_c [7.8008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaTl3Bi]
_chemical_formula_sum '[Na2 Tl6 Bi2]'
_cell_volume [329.0357]
_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  0.5000  0.4652  1.0
  Tl  Tl1  4  0.0000  0.2092  0.7526  1.0
  Tl  Tl2  2  0.0000  0.0000  0.2310  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0509  1.0
]