data_[Cs16In8Sn8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Fddd]
_cell_length_a [6.5803]
_cell_length_b [14.9189]
_cell_length_c [24.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2InSnS4]
_chemical_formula_sum '[Cs16 In8 Sn8 S32]'
_cell_volume [2399.9081]
_cell_formula_units_Z [8]
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
[
  Cs  Cs0  16  0.0000  0.0000  0.1803  1
  In  In1  8  0.0000  0.0000  0.5000  1
  Sn  Sn2  8  0.0000  0.0000  0.0000  1
  S  S3  32  0.0101  0.1543  0.6954  1
]