data_[La6Ir2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9192]
_cell_length_b [6.9907]
_cell_length_c [8.2971]
_cell_angle_alpha [70.0858]
_cell_angle_beta [80.6942]
_cell_angle_gamma [65.7205]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3IrAu]
_chemical_formula_sum '[La6 Ir2 Au2]'
_cell_volume [294.1536]
_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  0.1183  0.0330  0.7712  1.0
  La  La1  2  0.1674  0.2917  0.3254  1.0
  La  La2  2  0.4521  0.3531  0.8572  1.0
  Ir  Ir3  2  0.0781  0.6629  0.0287  1.0
  Au  Au4  2  0.3558  0.7536  0.4945  1.0
]