data_ScRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   13.6
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc6 Rh18'
_cell_volume   367.64
_cell_formula_units_Z   6
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  Sc18  1  0.8  0.8  0.81  1.0
  Sc  Sc19  1  0.8  0.16  0.63  1.0
  Sc  Sc20  1  0.8  0.44  0.63  1.0
  Sc  Sc21  1  0.0  0.0  0.02  1.0
  Sc  Sc22  1  0.0  0.96  0.2  1.0
  Sc  Sc23  1  0.0  0.64  0.2  1.0
  Rh  Rh0  1  0.22  0.29  0.04  1.0
  Rh  Rh1  1  0.22  0.31  0.04  1.0
  Rh  Rh2  1  0.16  0.8  0.4  1.0
  Rh  Rh3  1  0.24  0.0  0.43  1.0
  Rh  Rh4  1  0.18  0.09  0.79  1.0
  Rh  Rh5  1  0.18  0.51  0.79  1.0
  Rh  Rh6  1  0.8  0.0  0.67  1.0
  Rh  Rh7  1  0.8  0.07  0.2  1.0
  Rh  Rh8  1  0.8  0.53  0.2  1.0
  Rh  Rh9  1  0.38  0.29  0.04  1.0
  Rh  Rh10  1  0.38  0.31  0.04  1.0
  Rh  Rh11  1  0.44  0.8  0.4  1.0
  Rh  Rh12  1  0.36  0.0  0.43  1.0
  Rh  Rh13  1  0.42  0.09  0.79  1.0
  Rh  Rh14  1  0.42  0.51  0.79  1.0
  Rh  Rh15  1  0.0  0.8  0.16  1.0
  Rh  Rh16  1  0.0  0.27  0.63  1.0
  Rh  Rh17  1  0.0  0.32  0.63  1.0

data_ScRh3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.83
_cell_length_b   5.6
_cell_length_c   13.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRh3
_chemical_formula_sum   'Sc6 Rh18'
_cell_volume   367.64
_cell_formula_units_Z   6
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  0.02  0.0  0.0  1.0
  Sc  Sc1  1  0.2  0.0  0.64  1.0
  Sc  Sc2  1  0.2  0.0  0.96  1.0
  Sc  Sc3  1  0.63  0.8  0.16  1.0
  Sc  Sc4  1  0.63  0.8  0.44  1.0
  Sc  Sc5  1  0.81  0.8  0.8  1.0
  Rh  Rh6  1  0.04  0.22  0.29  1.0
  Rh  Rh7  1  0.04  0.22  0.31  1.0
  Rh  Rh8  1  0.04  0.38  0.29  1.0
  Rh  Rh9  1  0.04  0.38  0.31  1.0
  Rh  Rh10  1  0.16  0.0  0.8  1.0
  Rh  Rh11  1  0.2  0.8  0.07  1.0
  Rh  Rh12  1  0.2  0.8  0.53  1.0
  Rh  Rh13  1  0.4  0.16  0.8  1.0
  Rh  Rh14  1  0.4  0.44  0.8  1.0
  Rh  Rh15  1  0.43  0.24  0.0  1.0
  Rh  Rh16  1  0.43  0.36  0.0  1.0
  Rh  Rh17  1  0.63  0.0  0.27  1.0
  Rh  Rh18  1  0.63  0.0  0.32  1.0
  Rh  Rh19  1  0.67  0.8  0.0  1.0
  Rh  Rh20  1  0.79  0.18  0.09  1.0
  Rh  Rh21  1  0.79  0.18  0.51  1.0
  Rh  Rh22  1  0.79  0.42  0.09  1.0
  Rh  Rh23  1  0.79  0.42  0.51  1.0

Sc Sc Sc Sc Sc Sc Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh
Sc Sc Sc Sc Sc Sc Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh Rh 0 21 + o + 1 19 o o o 1 13 o o o 1 10 + o o 1 12 o o o 1 23 + o o 1 22 + o o 2 23 + o o 2 14 o o o 3 4 o - o 3 12 - o - 3 13 - o o 4 12 - + o 4 13 - + o 5 14 - o o 5 21 o o o 6 7 o o o 8 21 o o o 8 17 o o o 9 18 o o o 9 12 - o o 10 19 o o o 10 12 - o o 11 20 o o o 12 18 o o o 12 19 o o o 12 13 o o o 15 16 o o o 22 23 o o o 