data_RuPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   9.07
_cell_length_c   5.57
_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   'Ru4 Pt12'
_cell_volume   243.79
_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  Ru12  1  0.37  0.27  0.54  1.0
  Ru  Ru13  1  0.04  0.8  0.75  1.0
  Ru  Ru14  1  0.78  0.27  0.83  1.0
  Ru  Ru15  1  0.45  0.8  0.04  1.0
  Pt  Pt0  1  0.43  0.8  0.89  1.0
  Pt  Pt1  1  0.18  0.55  0.1  1.0
  Pt  Pt2  1  0.18  0.05  0.1  1.0
  Pt  Pt3  1  0.23  0.02  0.88  1.0
  Pt  Pt4  1  0.23  0.52  0.88  1.0
  Pt  Pt5  1  0.81  0.27  0.1  1.0
  Pt  Pt6  1  0.01  0.8  0.47  1.0
  Pt  Pt7  1  0.59  0.55  0.69  1.0
  Pt  Pt8  1  0.59  0.05  0.69  1.0
  Pt  Pt9  1  0.64  0.02  0.48  1.0
  Pt  Pt10  1  0.64  0.52  0.48  1.0
  Pt  Pt11  1  0.4  0.27  0.69  1.0

data_RuPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.82
_cell_length_b   5.57
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RuPt3
_chemical_formula_sum   'Ru4 Pt12'
_cell_volume   243.79
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.13  0.96  0.27  1.0
  Ru  Ru1  2  0.46  0.75  0.73  1.0
  Pt  Pt2  2  0.1  0.69  0.27  1.0
  Pt  Pt3  2  0.27  0.31  0.02  1.0
  Pt  Pt4  2  0.27  0.31  0.52  1.0
  Pt  Pt5  2  0.32  0.1  0.48  1.0
  Pt  Pt6  2  0.32  0.1  0.98  1.0
  Pt  Pt7  2  0.49  0.9  0.73  1.0

Ru Ru Ru Ru Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Ru Ru Ru Ru Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 15 o o o 1 10 o o o 2 9 o o + 3 4 o o - 5 8 o o - 6 7 o o - 11 14 o o o 12 13 o o o 