data_[Ho28Ir4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8333]
_cell_length_b [12.8329]
_cell_length_c [23.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho7IrS5]
_chemical_formula_sum '[Ho28 Ir4 S20]'
_cell_volume [1151.2201]
_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  0.0387  0.7490  1
  Ho  Ho1  4  0.0000  0.1324  0.4650  1
  Ho  Ho2  4  0.0000  0.1457  0.0369  1
  Ho  Ho3  4  0.0000  0.2977  0.6792  1
  Ho  Ho4  4  0.0000  0.3090  0.8209  1
  Ho  Ho5  4  0.0000  0.3996  0.3828  1
  Ho  Ho6  4  0.0000  0.4168  0.1089  1
  Ir  Ir7  4  0.0000  0.3058  0.2571  1
  S  S8  4  0.0000  0.0448  0.3596  1
  S  S9  4  0.0000  0.0584  0.1414  1
  S  S10  4  0.0000  0.2181  0.5714  1
  S  S11  4  0.0000  0.2304  0.9294  1
  S  S12  4  0.0000  0.4915  0.4982  1
]