data_[Na2In2Sn2S6]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2726]
_cell_length_b [4.0384]
_cell_length_c [10.6264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaInSnS3]
_chemical_formula_sum '[Na2 In2 Sn2 S6]'
_cell_volume [354.8840]
_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  0.1187  0.2500  0.1138  1.0
  In  In1  2  0.0982  0.2500  0.6134  1.0
  Sn  Sn2  2  0.4126  0.7500  0.8532  1.0
  S  S3  2  0.1218  0.2500  0.8380  1.0
  S  S4  2  0.1923  0.7500  0.4879  1.0
  S  S5  2  0.3604  0.7500  0.0910  1.0
]