data_[Ho8S12]
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/c]
_cell_length_a [6.9657]
_cell_length_b [11.5757]
_cell_length_c [6.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho2S3]
_chemical_formula_sum '[Ho8 S12]'
_cell_volume [512.3497]
_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  0.0879  0.2500  1.0
  Ho  Ho1  4  0.0000  0.2614  0.7500  1.0
  S  S2  8  0.2234  0.0902  0.9970  1.0
  S  S3  4  0.2500  0.2500  0.5000  1.0
]