data_[Na2Tl4Bi2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4069]
_cell_length_b [7.8328]
_cell_length_c [12.9691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTl2BiCl6]
_chemical_formula_sum '[Na2 Tl4 Bi2 Cl12]'
_cell_volume [621.4541]
_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  1.0
  Tl  Tl1  4  0.2725  0.0715  0.2500  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1463  0.0261  0.7463  1.0
  Cl  Cl4  4  0.2368  0.7056  0.5499  1.0
  Cl  Cl5  4  0.3497  0.1912  0.5478  1.0
]