data_ScCoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   133.01
_cell_angle_beta   133.01
_cell_angle_gamma   68.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoRh2
_chemical_formula_sum   'Sc1 Co1 Rh2'
_cell_volume   58.79
_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
  Co  Co0  1  0.92  0.0  0.99  1.0
  Rh  Rh1  1  0.0  0.0  0.98  1.0
  Rh  Rh2  1  0.0  0.92  0.99  1.0

data_ScCoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.82
_cell_angle_alpha   113.49
_cell_angle_beta   113.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoRh2
_chemical_formula_sum   'Sc1 Co1 Rh2'
_cell_volume   58.79
_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
  Co  Co1  1  0.99  0.07  0.07  1.0
  Rh  Rh2  1  0.07  0.99  0.07  1.0
  Rh  Rh3  1  0.98  0.98  0.98  1.0

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