data_[In2Ga2Ir2]
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 [Pm]
_cell_length_a [6.2376]
_cell_length_b [2.9677]
_cell_length_c [6.8094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [InGaIr]
_chemical_formula_sum '[In2 Ga2 Ir2]'
_cell_volume [115.1602]
_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  1  0.2863  0.0000  0.3595  1.0
  In  In1  1  0.4776  0.0000  0.8783  1.0
  Ga  Ga2  1  0.7353  0.0000  0.3737  1.0
  Ga  Ga3  1  0.9710  0.0000  0.8604  1.0
  Ir  Ir4  1  0.0896  0.5000  0.6172  1.0
  Ir  Ir5  1  0.8714  0.5000  0.1170  1.0
]