data_[Na2Tl2Bi2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1795]
_cell_length_b [4.1036]
_cell_length_c [10.1796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlBiS3]
_chemical_formula_sum '[Na2 Tl2 Bi2 S6]'
_cell_volume [299.9009]
_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  0.2540  0.2500  0.0017  1.0
  Tl  Tl1  2  0.4203  0.7500  0.3282  1.0
  Bi  Bi2  2  0.0875  0.7500  0.6781  1.0
  S  S3  2  0.0764  0.7500  0.1729  1.0
  S  S4  2  0.2319  0.2500  0.5053  1.0
  S  S5  2  0.4079  0.7500  0.8276  1.0
]