data_[Na10Bi2S8]
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 [Immm]
_cell_length_a [4.2694]
_cell_length_b [7.6738]
_cell_length_c [15.3765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na5BiS4]
_chemical_formula_sum '[Na10 Bi2 S8]'
_cell_volume [503.7758]
_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  8  0.0000  0.2263  0.1749  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  2  0.0000  0.5000  0.5000  1.0
  S  S3  4  0.0000  0.2548  0.0000  1.0
  S  S4  4  0.0000  0.5000  0.3062  1.0
]