data_[Na6In2Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  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 [6.9329]
_cell_length_b [12.0222]
_cell_length_c [7.1673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3In(BiS3)2]
_chemical_formula_sum '[Na6 In2 Bi4 S12]'
_cell_volume [565.2519]
_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  0.0000  0.1694  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3336  0.0000  1.0
  S  S4  8  0.2359  0.8416  0.2314  1.0
  S  S5  4  0.2392  0.0000  0.7709  1.0
]