data_[In4Ga8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4616]
_cell_length_b [8.3566]
_cell_length_c [5.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(GaIr)2]
_chemical_formula_sum '[In4 Ga8 Ir8]'
_cell_volume [365.7690]
_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
[
  In  In0  4  0.0000  0.1098  0.2500  1
  Ga  Ga1  8  0.2249  0.3906  0.1053  1
  Ir  Ir2  4  0.0000  0.2229  0.7500  1
  Ir  Ir3  4  0.0000  0.4376  0.2500  1
]