data_[Na6Tl12Bi2]
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 [10.7776]
_cell_length_b [4.8756]
_cell_length_c [12.9613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na3Tl6Bi]
_chemical_formula_sum '[Na6 Tl12 Bi2]'
_cell_volume [637.5559]
_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  0.1952  0.7500  0.9032  1.0
  Na  Na1  2  0.2106  0.2500  0.6779  1.0
  Na  Na2  2  0.4979  0.2500  0.2052  1.0
  Tl  Tl3  2  0.0055  0.2500  0.3906  1.0
  Tl  Tl4  2  0.0498  0.7500  0.2129  1.0
  Tl  Tl5  2  0.1408  0.2500  0.0633  1.0
  Tl  Tl6  2  0.2489  0.7500  0.5017  1.0
  Tl  Tl7  2  0.4145  0.2500  0.9352  1.0
  Tl  Tl8  2  0.4906  0.2500  0.6077  1.0
  Bi  Bi9  2  0.2843  0.2500  0.3341  1.0
]