data_Sr2ScRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   4.29
_cell_angle_alpha   102.81
_cell_angle_beta   102.81
_cell_angle_gamma   22.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScRh
_chemical_formula_sum   'Sr2 Sc1 Rh1'
_cell_volume   125.75
_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
  Sr  Sr2  1  0.22  0.0  0.45  1.0
  Sr  Sr3  1  0.06  0.0  0.73  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.14  0.0  0.09  1.0

data_Sr2ScRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.29
_cell_length_c   8.8
_cell_angle_alpha   102.81
_cell_angle_beta   101.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScRh
_chemical_formula_sum   'Sr2 Sc1 Rh1'
_cell_volume   125.75
_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
  Sr  Sr0  1  0.0  0.45  0.22  1.0
  Sr  Sr1  1  0.0  0.73  0.06  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.09  0.14  1.0

Sr Sr Sc Rh
Sr Sr Sc Rh 0 3 o o o 1 2 o o + 1 3 o o + 2 3 o o o 