data_[Na4Al2In2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7991]
_cell_length_b [7.8222]
_cell_length_c [6.6883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2AlInS4]
_chemical_formula_sum '[Na4 Al2 In2 S8]'
_cell_volume [408.0279]
_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  0.2471  0.3403  0.0080  1.0
  Al  Al1  2  0.0000  0.8469  0.0026  1.0
  In  In2  2  0.0000  0.1381  0.5013  1.0
  S  S3  4  0.2365  0.6901  0.0936  1.0
  S  S4  2  0.0000  0.1140  0.1290  1.0
  S  S5  2  0.0000  0.8559  0.6641  1.0
]