data_[Ho8Se8S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9179]
_cell_length_b [5.7099]
_cell_length_c [8.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Se2S]
_chemical_formula_sum '[Ho8 Se8 S4]'
_cell_volume [568.6459]
_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  0.0142  0.5000  0.7826  1
  Ho  Ho1  4  0.1737  0.0000  0.5961  1
  Se  Se2  4  0.0118  0.0000  0.7405  1
  Se  Se3  4  0.1646  0.5000  0.5738  1
  S  S4  4  0.1506  0.5000  0.1092  1
]