data_[Na2Sn2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0052]
_cell_length_b [3.9835]
_cell_length_c [11.7767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaSnBiS3]
_chemical_formula_sum '[Na2 Sn2 Bi2 S6]'
_cell_volume [317.4670]
_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  2  0.0650  0.7500  0.1662  1.0
  Sn  Sn1  2  0.3175  0.7500  0.5521  1.0
  Bi  Bi2  2  0.4438  0.2500  0.8513  1.0
  S  S3  2  0.1423  0.2500  0.6350  1.0
  S  S4  2  0.2349  0.7500  0.9462  1.0
  S  S5  2  0.3764  0.2500  0.2552  1.0
]