data_[Hf16Ga2Ir4]
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 [C2/m]
_cell_length_a [7.8016]
_cell_length_b [12.6329]
_cell_length_c [5.2406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8GaIr2]
_chemical_formula_sum '[Hf16 Ga2 Ir4]'
_cell_volume [471.3123]
_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  0.2131  0.8832  0.0527  1
  Hf  Hf1  4  0.0000  0.2373  0.5000  1
  Hf  Hf2  4  0.1050  0.5000  0.3228  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.2904  0.0000  1
]