data_[Ho6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2927]
_cell_length_b [3.9254]
_cell_length_c [6.8558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3S4]
_chemical_formula_sum '[Ho6 S8]'
_cell_volume [344.5669]
_cell_formula_units_Z [2]
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  0.2277  0.5000  0.7205  1.0
  Ho  Ho1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.1245  0.0000  0.4386  1.0
  S  S3  4  0.1380  0.5000  0.0018  1.0
]