data_[Hf12Ga12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6902]
_cell_length_b [10.1725]
_cell_length_c [13.3672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf3Ga3Ir]
_chemical_formula_sum '[Hf12 Ga12 Ir4]'
_cell_volume [501.7878]
_cell_formula_units_Z [4]
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  0.0000  0.1870  0.5948  1
  Hf  Hf1  4  0.0000  0.4917  0.7500  1
  Ga  Ga2  8  0.0000  0.0945  0.1050  1
  Ga  Ga3  4  0.0000  0.2443  0.2500  1
  Ir  Ir4  4  0.0000  0.5000  0.0000  1
]