data_[Hf8Ga10Ir2]
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 [I4]
_cell_length_a [8.1840]
_cell_length_b [8.1840]
_cell_length_c [5.6070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Hf4Ga5Ir]
_chemical_formula_sum '[Hf8 Ga10 Ir2]'
_cell_volume [375.5430]
_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  0.0615  0.6955  0.4417  1
  Ga  Ga1  8  0.0922  0.7592  0.9521  1
  Ga  Ga2  2  0.0000  0.0000  0.6897  1
  Ir  Ir3  2  0.0000  0.0000  0.2454  1
]