data_ScRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   116.7
_cell_angle_beta   116.7
_cell_angle_gamma   116.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc1 Rh3'
_cell_volume   61.98
_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
  Rh  Rh0  1  0.18  0.74  0.94  1.0
  Rh  Rh1  1  0.0  0.52  0.94  1.0
  Rh  Rh2  1  0.82  0.74  0.94  1.0

data_ScRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   116.7
_cell_angle_beta   100.6
_cell_angle_gamma   100.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc1 Rh3'
_cell_volume   61.98
_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
  Rh  Rh1  1  0.94  0.12  0.2  1.0
  Rh  Rh2  1  0.94  0.76  0.2  1.0
  Rh  Rh3  1  0.94  0.94  0.43  1.0

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