data_ScFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   2.79
_cell_angle_alpha   100.29
_cell_angle_beta   100.29
_cell_angle_gamma   118.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Rh
_chemical_formula_sum   'Sc1 Fe2 Rh1'
_cell_volume   57.58
_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
  Fe  Fe0  1  0.8  0.15  0.31  1.0
  Fe  Fe1  1  0.8  0.85  0.31  1.0
  Rh  Rh2  1  0.56  0.0  0.0  1.0

data_ScFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.91
_cell_length_c   5.0
_cell_angle_alpha   115.72
_cell_angle_beta   100.29
_cell_angle_gamma   101.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFe2Rh
_chemical_formula_sum   'Sc1 Fe2 Rh1'
_cell_volume   57.58
_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
  Fe  Fe1  1  0.16  0.85  0.65  1.0
  Fe  Fe2  1  0.45  0.15  0.94  1.0
  Rh  Rh3  1  0.0  0.0  0.56  1.0

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