data_ScRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.68
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   97.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu2Rh
_chemical_formula_sum   'Sc1 Ru2 Rh1'
_cell_volume   62.22
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.42  0.34  0.45  1.0
  Ru  Ru2  1  0.84  0.34  0.22  1.0
  Rh  Rh0  1  0.13  0.0  0.34  1.0

data_ScRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.68
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   97.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRu2Rh
_chemical_formula_sum   'Sc1 Ru2 Rh1'
_cell_volume   62.22
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.42  0.34  0.45  1.0
  Ru  Ru2  1  0.84  0.34  0.22  1.0
  Rh  Rh3  1  0.13  0.0  0.34  1.0

Sc Ru Ru Rh
Sc Ru Ru Rh 0 3 o o o 0 2 - o o 1 3 o o o 1 2 - o o 1 2 o o o 2 3 + o o 