data_[La12Ga4Ir2]
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 [P2_1/c]
_cell_length_a [6.1205]
_cell_length_b [8.7307]
_cell_length_c [11.8747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ga2Ir]
_chemical_formula_sum '[La12 Ga4 Ir2]'
_cell_volume [558.1465]
_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
[
  La  La0  4  0.1500  0.0207  0.2398  1.0
  La  La1  4  0.1544  0.6608  0.0612  1.0
  La  La2  4  0.4483  0.1783  0.0577  1.0
  Ga  Ga3  4  0.3248  0.1296  0.7541  1.0
  Ir  Ir4  2  0.5000  0.0000  0.5000  1.0
]