data_[Y4In4Sn8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [Cmc2_1]
_cell_length_a [3.9514]
_cell_length_b [18.2027]
_cell_length_c [13.1364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YInSn2S5]
_chemical_formula_sum '[Y4 In4 Sn8 S20]'
_cell_volume [944.8494]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0000  0.1960  0.0199  1.0
  In  In1  4  0.0000  0.4576  0.4312  1.0
  Sn  Sn2  4  0.0000  0.1341  0.3197  1.0
  Sn  Sn3  4  0.0000  0.1475  0.6602  1.0
  S  S4  4  0.0000  0.0401  0.0472  1.0
  S  S5  4  0.0000  0.2942  0.6678  1.0
  S  S6  4  0.0000  0.3226  0.3780  1.0
  S  S7  4  0.0000  0.3451  0.0205  1.0
  S  S8  4  0.0000  0.4653  0.7794  1.0
]