data_[Na12Tl6Bi2]
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/m]
_cell_length_a [9.5473]
_cell_length_b [5.5221]
_cell_length_c [12.0106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Tl3Bi]
_chemical_formula_sum '[Na12 Tl6 Bi2]'
_cell_volume [597.4882]
_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  0.0912  0.2500  0.9506  1.0
  Na  Na1  2  0.1167  0.7500  0.7817  1.0
  Na  Na2  2  0.1213  0.2500  0.5065  1.0
  Na  Na3  2  0.2590  0.2500  0.2671  1.0
  Na  Na4  2  0.4693  0.7500  0.3991  1.0
  Na  Na5  2  0.4831  0.2500  0.0814  1.0
  Tl  Tl6  2  0.2795  0.7500  0.1041  1.0
  Tl  Tl7  2  0.3320  0.2500  0.7832  1.0
  Tl  Tl8  2  0.3466  0.7500  0.6292  1.0
  Bi  Bi9  2  0.1030  0.7500  0.3348  1.0
]