data_ScNi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.75
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Rh
_chemical_formula_sum   'Sc1 Ni2 Rh1'
_cell_volume   55.72
_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
  Ni  Ni0  1  0.36  0.88  0.43  1.0
  Ni  Ni1  1  0.3  0.88  0.89  1.0
  Rh  Rh2  1  0.93  0.0  0.66  1.0

data_ScNi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.75
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   91.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Rh
_chemical_formula_sum   'Sc1 Ni2 Rh1'
_cell_volume   55.72
_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
  Ni  Ni1  1  0.3  0.88  0.89  1.0
  Ni  Ni2  1  0.36  0.88  0.43  1.0
  Rh  Rh3  1  0.93  0.0  0.66  1.0

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