data_[Na10Tl12Bi2]
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 [Cmmm]
_cell_length_a [4.7453]
_cell_length_b [15.2092]
_cell_length_c [9.6543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na5Tl6Bi]
_chemical_formula_sum '[Na10 Tl12 Bi2]'
_cell_volume [696.7711]
_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  0.0000  0.3340  0.5000  1
  Na  Na1  4  0.0000  0.3388  0.0000  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  8  0.0000  0.1682  0.2483  1
  Tl  Tl4  4  0.0000  0.5000  0.2529  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
]