data_RuPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   13.69
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPt3
_chemical_formula_sum   'Ru6 Pt18'
_cell_volume   364.81
_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
  Ru  Ru18  1  0.77  0.84  0.01  1.0
  Ru  Ru19  1  0.77  0.3  0.61  1.0
  Ru  Ru20  1  0.77  0.38  0.61  1.0
  Ru  Ru21  1  0.0  0.0  0.8  1.0
  Ru  Ru22  1  0.0  0.15  0.2  1.0
  Ru  Ru23  1  0.0  0.54  0.2  1.0
  Pt  Pt0  1  0.15  0.29  0.01  1.0
  Pt  Pt1  1  0.15  0.4  0.01  1.0
  Pt  Pt2  1  0.15  0.84  0.42  1.0
  Pt  Pt3  1  0.16  0.0  0.39  1.0
  Pt  Pt4  1  0.16  0.13  0.8  1.0
  Pt  Pt5  1  0.16  0.56  0.8  1.0
  Pt  Pt6  1  0.77  0.0  0.02  1.0
  Pt  Pt7  1  0.77  0.14  0.21  1.0
  Pt  Pt8  1  0.77  0.54  0.21  1.0
  Pt  Pt9  1  0.39  0.29  0.01  1.0
  Pt  Pt10  1  0.39  0.4  0.01  1.0
  Pt  Pt11  1  0.39  0.84  0.42  1.0
  Pt  Pt12  1  0.38  0.0  0.39  1.0
  Pt  Pt13  1  0.38  0.13  0.8  1.0
  Pt  Pt14  1  0.38  0.56  0.8  1.0
  Pt  Pt15  1  0.0  0.84  0.79  1.0
  Pt  Pt16  1  0.0  0.3  0.61  1.0
  Pt  Pt17  1  0.0  0.39  0.61  1.0

data_RuPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   5.54
_cell_length_c   13.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPt3
_chemical_formula_sum   'Ru6 Pt18'
_cell_volume   364.81
_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
  Ru  Ru0  1  0.01  0.77  0.84  1.0
  Ru  Ru1  1  0.2  0.0  0.15  1.0
  Ru  Ru2  1  0.2  0.0  0.54  1.0
  Ru  Ru3  1  0.61  0.77  0.3  1.0
  Ru  Ru4  1  0.61  0.77  0.38  1.0
  Ru  Ru5  1  0.8  0.0  0.0  1.0
  Pt  Pt6  1  0.01  0.15  0.29  1.0
  Pt  Pt7  1  0.01  0.15  0.4  1.0
  Pt  Pt8  1  0.01  0.39  0.29  1.0
  Pt  Pt9  1  0.01  0.39  0.4  1.0
  Pt  Pt10  1  0.02  0.77  0.0  1.0
  Pt  Pt11  1  0.21  0.77  0.14  1.0
  Pt  Pt12  1  0.21  0.77  0.54  1.0
  Pt  Pt13  1  0.39  0.16  0.0  1.0
  Pt  Pt14  1  0.39  0.38  0.0  1.0
  Pt  Pt15  1  0.42  0.15  0.84  1.0
  Pt  Pt16  1  0.42  0.39  0.84  1.0
  Pt  Pt17  1  0.61  0.0  0.3  1.0
  Pt  Pt18  1  0.61  0.0  0.39  1.0
  Pt  Pt19  1  0.79  0.0  0.84  1.0
  Pt  Pt20  1  0.8  0.16  0.13  1.0
  Pt  Pt21  1  0.8  0.16  0.56  1.0
  Pt  Pt22  1  0.8  0.38  0.13  1.0
  Pt  Pt23  1  0.8  0.38  0.56  1.0

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