data_[Ho4Er12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1656]
_cell_length_b [3.7710]
_cell_length_c [9.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoEr3Ir]
_chemical_formula_sum '[Ho4 Er12 Ir4]'
_cell_volume [577.5547]
_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  0.1904  0.5000  0.2976  1
  Er  Er1  4  0.0016  0.0000  0.1815  1
  Er  Er2  4  0.1011  0.0000  0.5439  1
  Er  Er3  4  0.1806  0.5000  0.8771  1
  Ir  Ir4  4  0.1397  0.0000  0.0667  1
]