data_La2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   5.18
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrRu
_chemical_formula_sum   'La2 Ir1 Ru1'
_cell_volume   92.64
_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  La1  1  0.16  0.0  0.5  1.0
  La  La2  1  0.37  0.59  0.18  1.0
  Ir  Ir0  1  0.2  0.59  0.95  1.0
  Ru  Ru3  1  0.96  0.0  0.71  1.0

data_La2IrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.93
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrRu
_chemical_formula_sum   'La2 Ir1 Ru1'
_cell_volume   92.64
_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  0.63  0.82  0.41  1.0
  La  La1  1  0.84  0.5  0.0  1.0
  Ru  Ru2  1  0.04  0.29  0.0  1.0
  Ir  Ir3  1  0.8  0.05  0.41  1.0

La La Ir Ru
La La Ir Ru 0 3 - o o 1 2 o o - 