data_[La4Ga6Ir2]
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 [Cm]
_cell_length_a [10.7929]
_cell_length_b [4.4461]
_cell_length_c [7.4034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [La2Ga3Ir]
_chemical_formula_sum '[La4 Ga6 Ir2]'
_cell_volume [268.4621]
_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  0.0531  0.5000  0.3092  1
  La  La1  2  0.4443  0.0000  0.6980  1
  Ga  Ga2  2  0.1762  0.0000  0.0913  1
  Ga  Ga3  2  0.3188  0.5000  0.8983  1
  Ga  Ga4  2  0.3492  0.5000  0.3037  1
  Ir  Ir5  2  0.1584  0.0000  0.6995  1
]