data_[La4Ga4Ir4]
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 [Pbcm]
_cell_length_a [5.7037]
_cell_length_b [7.7203]
_cell_length_c [5.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [LaGaIr]
_chemical_formula_sum '[La4 Ga4 Ir4]'
_cell_volume [259.4265]
_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  4  0.3460  0.5893  0.2500  1.0
  Ga  Ga1  4  0.0982  0.2500  0.0000  1.0
  Ir  Ir2  4  0.1616  0.5250  0.7500  1.0
]