data_[Hf12Co2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0183]
_cell_length_b [10.4584]
_cell_length_c [5.9950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6CoIr]
_chemical_formula_sum '[Hf12 Co2 Ir2]'
_cell_volume [335.6895]
_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  0.2371  0.3013  0.7451  1
  Hf  Hf1  4  0.2416  0.5000  0.2621  1
  Co  Co2  2  0.0000  0.5000  0.5000  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]