data_[Ho12Si4S8]
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 [Cmcm]
_cell_length_a [10.7305]
_cell_length_b [10.5832]
_cell_length_c [6.4064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3SiS2]
_chemical_formula_sum '[Ho12 Si4 S8]'
_cell_volume [727.5264]
_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  8  0.1547  0.4135  0.2500  1
  Ho  Ho1  4  0.0000  0.1027  0.2500  1
  Si  Si2  4  0.0000  0.3719  0.7500  1
  S  S3  8  0.1678  0.0000  0.0000  1
]