data_La2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   4.59
_cell_angle_alpha   109.17
_cell_angle_beta   109.17
_cell_angle_gamma   32.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrAu
_chemical_formula_sum   'La2 Ir1 Au1'
_cell_volume   102.07
_cell_formula_units_Z   1
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  La2  1  0.63  0.0  0.12  1.0
  La  La3  1  0.1  0.0  0.08  1.0
  Ir  Ir1  1  0.92  0.0  0.24  1.0
  Au  Au0  1  0.11  0.0  0.35  1.0

data_La2IrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.59
_cell_length_c   6.61
_cell_angle_alpha   109.17
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrAu
_chemical_formula_sum   'La2 Ir1 Au1'
_cell_volume   102.07
_cell_formula_units_Z   1
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  1  0.0  0.08  0.1  1.0
  La  La1  1  0.0  0.12  0.63  1.0
  Ir  Ir2  1  0.0  0.24  0.92  1.0
  Au  Au3  1  0.0  0.35  0.11  1.0

La La Ir Au