data_[Na4Bi4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0662]
_cell_length_b [5.7191]
_cell_length_c [5.7893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaBiS2]
_chemical_formula_sum '[Na4 Bi4 S8]'
_cell_volume [391.8727]
_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  0.1254  0.5000  0.8742  1.0
  Bi  Bi1  4  0.1269  0.0000  0.3985  1.0
  S  S2  4  0.1154  0.0000  0.8473  1.0
  S  S3  4  0.1359  0.5000  0.3807  1.0
]