data_[La8Ga20Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.2573]
_cell_length_b [12.8231]
_cell_length_c [5.8738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La2Ga5Ir3]
_chemical_formula_sum '[La8 Ga20 Ir12]'
_cell_volume [772.5846]
_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
[
  La  La0  8  0.2271  0.3632  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2087  0.2500  1.0
  Ga  Ga2  8  0.1662  0.0919  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Ir  Ir4  8  0.0994  0.3534  0.0000  1.0
  Ir  Ir5  4  0.0000  0.0000  0.2500  1.0
]