data_[La1Ce1Ga5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.7530]
_cell_length_b [4.7530]
_cell_length_c [9.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LaCeGa5Ir2]
_chemical_formula_sum '[La1 Ce1 Ga5 Ir2]'
_cell_volume [207.1823]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.5000  0.2172  1
  Ga  Ga3  1  0.5000  0.5000  0.5000  1
  Ir  Ir4  2  0.5000  0.5000  0.2466  1
]