data_[Na4Tl4Pb4S8]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9201]
_cell_length_b [4.6741]
_cell_length_c [11.0912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTlPbS2]
_chemical_formula_sum '[Na4 Tl4 Pb4 S8]'
_cell_volume [701.8834]
_cell_formula_units_Z [4]
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  0.2266  0.5000  0.0959  1
  Tl  Tl1  4  0.1546  0.5000  0.5578  1
  Pb  Pb2  4  0.0723  0.0000  0.1983  1
  S  S3  4  0.1274  0.0000  0.0004  1
  S  S4  4  0.2012  0.5000  0.3288  1
]