data_La2ScIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.41
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScIr
_chemical_formula_sum   'La2 Sc1 Ir1'
_cell_volume   108.09
_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  0.06  0.0  0.41  1.0
  La  La2  1  0.73  0.71  0.53  1.0
  Sc  Sc3  1  0.45  0.0  0.17  1.0
  Ir  Ir0  1  0.74  0.71  0.52  1.0

data_La2ScIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.5
_cell_length_c   9.06
_cell_angle_alpha   90.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScIr
_chemical_formula_sum   'La2 Sc1 Ir1'
_cell_volume   108.09
_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  0.94  0.59  1.0
  La  La1  1  0.29  0.27  0.47  1.0
  Sc  Sc2  1  0.0  0.55  0.83  1.0
  Ir  Ir3  1  0.29  0.26  0.48  1.0

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