data_ScRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc2 Rh6'
_cell_volume   131.71
_cell_formula_units_Z   2
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  Sc6  1  0.72  0.7  0.18  1.0
  Sc  Sc7  1  0.72  0.3  0.53  1.0
  Rh  Rh0  1  0.72  0.83  0.53  1.0
  Rh  Rh1  1  0.72  0.17  0.18  1.0
  Rh  Rh2  1  0.44  0.93  0.53  1.0
  Rh  Rh3  1  1.0  0.07  0.18  1.0
  Rh  Rh4  1  1.0  0.93  0.53  1.0
  Rh  Rh5  1  0.44  0.07  0.18  1.0

data_ScRh3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.7
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc2 Rh6'
_cell_volume   131.72
_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, y, -z'
  4  '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  2  0.18  0.5  0.3  1.0
  Rh  Rh1  4  0.18  0.22  0.93  1.0
  Rh  Rh2  2  0.18  0.5  0.83  1.0

Sc Sc Rh Rh Rh Rh Rh Rh
Sc Sc Rh Rh Rh Rh Rh Rh 0 2 o o o 1 3 o o o 2 4 o o o 2 6 o o o 3 7 o o o 3 5 o o o 4 7 o + o 5 6 o - o 