data_RuRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.46
_cell_length_c   7.46
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRh4
_chemical_formula_sum   'Ru4 Rh16'
_cell_volume   319.28
_cell_formula_units_Z   4
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
  Ru  Ru16  1  0.12  0.88  0.88  1.0
  Ru  Ru17  1  0.42  0.42  0.42  1.0
  Ru  Ru18  1  0.88  0.88  0.12  1.0
  Ru  Ru19  1  0.88  0.12  0.88  1.0
  Rh  Rh0  1  0.45  0.55  0.55  1.0
  Rh  Rh1  1  0.76  0.76  0.76  1.0
  Rh  Rh2  1  0.55  0.55  0.45  1.0
  Rh  Rh3  1  0.55  0.45  0.55  1.0
  Rh  Rh4  1  0.0  0.0  0.9  1.0
  Rh  Rh5  1  0.0  0.0  0.71  1.0
  Rh  Rh6  1  0.0  0.9  0.0  1.0
  Rh  Rh7  1  0.0  0.71  0.0  1.0
  Rh  Rh8  1  0.71  0.0  0.0  1.0
  Rh  Rh9  1  0.9  0.0  0.0  1.0
  Rh  Rh10  1  0.0  0.31  0.15  1.0
  Rh  Rh11  1  0.31  0.0  0.15  1.0
  Rh  Rh12  1  0.31  0.15  0.0  1.0
  Rh  Rh13  1  0.0  0.15  0.31  1.0
  Rh  Rh14  1  0.15  0.31  0.0  1.0
  Rh  Rh15  1  0.15  0.0  0.31  1.0

data_RuRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.18
_cell_length_b   12.18
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RuRh4
_chemical_formula_sum   'Ru12 Rh48'
_cell_volume   957.85
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Ru  Ru0  9  0.16  0.08  0.96  1.0
  Ru  Ru1  3  0.0  0.0  0.42  1.0
  Rh  Rh2  18  0.0  0.15  0.15  1.0
  Rh  Rh3  9  0.03  0.07  0.97  1.0
  Rh  Rh4  9  0.03  0.07  0.52  1.0
  Rh  Rh5  9  0.1  0.19  0.9  1.0
  Rh  Rh6  3  0.0  0.0  0.76  1.0

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