data_[Na4Sb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.7938]
_cell_length_b [5.7596]
_cell_length_c [5.9246]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaSbS2]
_chemical_formula_sum '[Na4 Sb4 S8]'
_cell_volume [393.4422]
_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  0.1257  0.6176  0.3704  1.0
  Sb  Sb1  4  0.1280  0.1019  0.9065  1.0
  S  S2  4  0.1187  0.1158  0.3136  1.0
  S  S3  4  0.1361  0.6646  0.8748  1.0
]