data_[Na6Bi8S16]
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 [11.3597]
_cell_length_b [11.5620]
_cell_length_c [8.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(BiS2)4]
_chemical_formula_sum '[Na6 Bi8 S16]'
_cell_volume [751.5006]
_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  4  0.2500  0.2500  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Bi  Bi2  4  0.2500  0.2500  0.0000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Bi  Bi4  2  0.0000  0.0000  0.5000  1
  S  S5  4  0.0000  0.2402  0.0000  1
  S  S6  4  0.0000  0.2452  0.5000  1
  S  S7  4  0.2324  0.0000  0.4700  1
  S  S8  4  0.2484  0.0000  0.9979  1
]