data_La2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrRh
_chemical_formula_sum   'La2 Ir1 Rh1'
_cell_volume   92.25
_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  0.44  0.0  0.47  1.0
  La  La2  1  0.44  0.0  0.86  1.0
  Ir  Ir0  1  0.0  0.0  0.67  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_La2IrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrRh
_chemical_formula_sum   'La2 Ir1 Rh1'
_cell_volume   92.25
_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  0.44  0.0  0.47  1.0
  La  La1  1  0.44  0.0  0.86  1.0
  Ir  Ir2  1  0.0  0.0  0.67  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

La La Ir Rh
La La Ir Rh 0 2 o o o 0 2 + o o 1 2 o o o 1 2 + o o 1 3 o o + 1 3 + o + 2 3 o o + 