data_[Ho4Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4876]
_cell_length_b [7.1587]
_cell_length_c [10.9746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HoSiS3]
_chemical_formula_sum '[Ho4 Si4 S12]'
_cell_volume [426.3172]
_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  0.2923  0.1260  0.7477  1.0
  Si  Si1  4  0.3508  0.6060  0.9328  1.0
  S  S2  4  0.0804  0.0238  0.2343  1.0
  S  S3  4  0.2197  0.6906  0.0642  1.0
  S  S4  4  0.4305  0.1753  0.0753  1.0
]