data_[Ho4Cd5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7063]
_cell_length_b [3.7111]
_cell_length_c [9.4245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4Cd5Ir2]
_chemical_formula_sum '[Ho4 Cd5 Ir2]'
_cell_volume [268.5559]
_cell_formula_units_Z [1]
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  0.1698  0.5000  0.8506  1.0
  Ho  Ho1  2  0.2093  0.5000  0.4452  1.0
  Cd  Cd2  2  0.1867  0.0000  0.1525  1.0
  Cd  Cd3  2  0.4547  0.0000  0.6710  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Ir  Ir5  2  0.0761  0.0000  0.6445  1.0
]