data_[Ho4Er2Ir4]
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 [P2_1/m]
_cell_length_a [5.5177]
_cell_length_b [4.3427]
_cell_length_c [10.2876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2ErIr2]
_chemical_formula_sum '[Ho4 Er2 Ir4]'
_cell_volume [245.2075]
_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  2  0.1104  0.2500  0.8806  1
  Ho  Ho1  2  0.2512  0.2500  0.5312  1
  Er  Er2  2  0.3963  0.2500  0.2063  1
  Ir  Ir3  2  0.2372  0.7500  0.3567  1
  Ir  Ir4  2  0.3416  0.7500  0.0252  1
]