data_[Ho4In4Sn8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [3.9433]
_cell_length_b [18.1378]
_cell_length_c [13.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HoInSn2S5]
_chemical_formula_sum '[Ho4 In4 Sn8 S20]'
_cell_volume [940.9881]
_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
[
  Ho  Ho0  4  0.0000  0.1961  0.0201  1.0
  In  In1  4  0.0000  0.4572  0.4316  1.0
  Sn  Sn2  4  0.0000  0.1341  0.3186  1.0
  Sn  Sn3  4  0.0000  0.1473  0.6596  1.0
  S  S4  4  0.0000  0.0406  0.0477  1.0
  S  S5  4  0.0000  0.2946  0.6668  1.0
  S  S6  4  0.0000  0.3215  0.3798  1.0
  S  S7  4  0.0000  0.3449  0.0202  1.0
  S  S8  4  0.0000  0.4661  0.7794  1.0
]