data_[Na4Tl4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.8317]
_cell_length_b [4.6874]
_cell_length_c [11.4284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTlS2]
_chemical_formula_sum '[Na4 Tl4 S8]'
_cell_volume [466.6358]
_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  0.4298  0.7013  0.3330  1.0
  Tl  Tl1  4  0.1096  0.1461  0.3970  1.0
  S  S2  4  0.1971  0.6449  0.5787  1.0
  S  S3  4  0.3934  0.7084  0.0644  1.0
]