data_ScFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.56
_cell_angle_alpha   104.63
_cell_angle_beta   104.63
_cell_angle_gamma   35.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Rh
_chemical_formula_sum   'Sc1 Fe2 Rh1'
_cell_volume   54.63
_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  0.27  0.0  0.12  1.0
  Fe  Fe0  1  0.52  0.0  0.13  1.0
  Fe  Fe1  1  0.33  0.0  0.49  1.0
  Rh  Rh2  1  0.92  0.0  0.25  1.0

data_ScFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.56
_cell_length_c   4.63
_cell_angle_alpha   104.63
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Rh
_chemical_formula_sum   'Sc1 Fe2 Rh1'
_cell_volume   54.63
_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  0.12  0.27  1.0
  Fe  Fe1  1  0.0  0.13  0.52  1.0
  Fe  Fe2  1  0.0  0.49  0.33  1.0
  Rh  Rh3  1  0.0  0.25  0.92  1.0

Sc Fe Fe Rh
Sc Fe Fe Rh 0 1 o o o 0 2 o o o 0 3 - o o 1 3 o o o 2 3 - o o 