data_[Na2Tl4Bi2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4269]
_cell_length_b [6.4715]
_cell_length_c [11.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTl2BiF6]
_chemical_formula_sum '[Na2 Tl4 Bi2 F12]'
_cell_volume [379.1746]
_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  0.5000  0.0000  0.0000  1
  Tl  Tl1  4  0.2562  0.0271  0.2501  1
  Bi  Bi2  2  0.0000  0.0000  0.5000  1
  F  F3  4  0.1753  0.0193  0.7460  1
  F  F4  4  0.2462  0.7181  0.5380  1
  F  F5  4  0.3175  0.2105  0.5358  1
]