data_[Hf12Cd2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9052]
_cell_length_b [9.0539]
_cell_length_c [5.4274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6CdIr]
_chemical_formula_sum '[Hf12 Cd2 Ir2]'
_cell_volume [337.5462]
_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
[
  Hf  Hf0  8  0.1704  0.3025  0.7314  1
  Hf  Hf1  4  0.1546  0.5000  0.2658  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  2  0.0000  0.0000  0.5000  1
]