data_[Ho4Ni2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5838]
_cell_length_b [4.0887]
_cell_length_c [7.7033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2NiIr]
_chemical_formula_sum '[Ho4 Ni2 Ir2]'
_cell_volume [165.1019]
_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  0.2130  0.2500  0.4320  1
  Ho  Ho1  2  0.2152  0.2500  0.9256  1
  Ni  Ni2  2  0.3465  0.7500  0.2089  1
  Ir  Ir3  2  0.3529  0.7500  0.7151  1
]