data_[In2Ga12Ir2]
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/m]
_cell_length_a [6.9206]
_cell_length_b [8.7295]
_cell_length_c [5.5052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InGa6Ir]
_chemical_formula_sum '[In2 Ga12 Ir2]'
_cell_volume [306.5429]
_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
[
  In  In0  2  0.0000  0.0000  0.0000  1
  Ga  Ga1  8  0.1495  0.2549  0.7461  1
  Ga  Ga2  4  0.0938  0.5000  0.2838  1
  Ir  Ir3  2  0.0000  0.0000  0.5000  1
]