data_[La6Ga2Ir2]
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 [P-1]
_cell_length_a [5.9400]
_cell_length_b [6.7527]
_cell_length_c [8.6140]
_cell_angle_alpha [70.8045]
_cell_angle_beta [79.4660]
_cell_angle_gamma [64.2028]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3GaIr]
_chemical_formula_sum '[La6 Ga2 Ir2]'
_cell_volume [293.4647]
_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  2  0.1240  0.0248  0.7726  1.0
  La  La1  2  0.1651  0.2919  0.3433  1.0
  La  La2  2  0.4530  0.3417  0.8711  1.0
  Ga  Ga3  2  0.3703  0.7291  0.4896  1.0
  Ir  Ir4  2  0.0794  0.6553  0.0349  1.0
]