data_ScReRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReRh2
_chemical_formula_sum   'Sc1 Re1 Rh2'
_cell_volume   63.13
_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  0.85  1.0
  Re  Re0  1  0.42  0.42  0.07  1.0
  Rh  Rh1  1  0.0  0.0  0.8  1.0
  Rh  Rh2  1  0.42  0.42  0.91  1.0

data_ScReRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScReRh2
_chemical_formula_sum   'Sc2 Re2 Rh4'
_cell_volume   126.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.85  1.0
  Re  Re1  2  0.42  0.0  0.07  1.0
  Rh  Rh2  2  0.0  0.0  0.8  1.0
  Rh  Rh3  2  0.42  0.0  0.91  1.0

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