data_[Na4Tl2Bi2S8]
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 [Pmn2_1]
_cell_length_a [9.7023]
_cell_length_b [7.9093]
_cell_length_c [6.0318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2TlBiS4]
_chemical_formula_sum '[Na4 Tl2 Bi2 S8]'
_cell_volume [462.8710]
_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  4  0.2468  0.3252  0.4428  1.0
  Tl  Tl1  2  0.0000  0.1666  0.9733  1.0
  Bi  Bi2  2  0.0000  0.8203  0.4671  1.0
  S  S3  4  0.2301  0.3141  0.9264  1.0
  S  S4  2  0.0000  0.1390  0.4201  1.0
  S  S5  2  0.0000  0.8412  0.9011  1.0
]