data_[Ho12Cd6Ir2]
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_1/m]
_cell_length_a [9.0677]
_cell_length_b [5.2393]
_cell_length_c [11.4229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho6Cd3Ir]
_chemical_formula_sum '[Ho12 Cd6 Ir2]'
_cell_volume [513.9819]
_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  0.1097  0.7500  0.8519  1
  Ho  Ho1  2  0.1247  0.7500  0.1513  1
  Ho  Ho2  2  0.1499  0.2500  0.6680  1
  Ho  Ho3  2  0.2214  0.7500  0.4977  1
  Ho  Ho4  2  0.3128  0.2500  0.3351  1
  Ho  Ho5  2  0.4666  0.7500  0.0846  1
  Cd  Cd6  2  0.2290  0.2500  0.0258  1
  Cd  Cd7  2  0.4151  0.7500  0.7805  1
  Cd  Cd8  2  0.4909  0.2500  0.6304  1
  Ir  Ir9  2  0.0412  0.2500  0.4050  1
]