data_La2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   5.02
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2IrRh
_chemical_formula_sum   'La2 Ir1 Rh1'
_cell_volume   93.51
_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  0.8  0.51  0.0  1.0
  La  La2  1  0.8  0.0  0.59  1.0
  Ir  Ir0  1  0.0  0.51  0.59  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_La2IrRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.59
_cell_length_b   5.02
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2IrRh
_chemical_formula_sum   'La2 Ir1 Rh1'
_cell_volume   93.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.8  0.0  0.59  1.0
  La  La1  1  0.8  0.5  0.0  1.0
  Ir  Ir2  1  0.0  0.5  0.59  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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