data_[Na4In2Sb2S8]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.6376]
_cell_length_b [7.6303]
_cell_length_c [5.9839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2InSbS4]
_chemical_formula_sum '[Na4 In2 Sb2 S8]'
_cell_volume [440.0429]
_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  0.2414  0.3271  0.4466  1.0
  In  In1  2  0.0000  0.1488  0.9806  1.0
  Sb  Sb2  2  0.0000  0.7988  0.4721  1.0
  S  S3  4  0.2229  0.3016  0.9282  1.0
  S  S4  2  0.0000  0.1136  0.4112  1.0
  S  S5  2  0.0000  0.8260  0.8865  1.0
]