data_Sn3(PRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   4.87
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3(PRu)2
_chemical_formula_sum   'Sn12 P8 Ru8'
_cell_volume   556.31
_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
  Sn  Sn16  1  0.66  0.22  0.32  1.0
  Sn  Sn17  1  0.06  0.65  0.99  1.0
  Sn  Sn18  1  0.79  0.65  0.02  1.0
  Sn  Sn19  1  0.38  0.22  0.35  1.0
  Sn  Sn20  1  0.64  0.22  0.6  1.0
  Sn  Sn21  1  0.52  0.65  0.27  1.0
  Sn  Sn22  1  0.8  0.65  0.73  1.0
  Sn  Sn23  1  0.92  0.22  0.06  1.0
  Sn  Sn24  1  0.9  0.22  0.94  1.0
  Sn  Sn25  1  0.82  0.65  0.61  1.0
  Sn  Sn26  1  0.55  0.65  0.39  1.0
  Sn  Sn27  1  0.62  0.22  0.73  1.0
  P  P0  1  0.77  0.22  0.82  1.0
  P  P1  1  0.4  0.65  0.16  1.0
  P  P2  1  0.68  0.65  0.51  1.0
  P  P3  1  0.05  0.22  0.18  1.0
  P  P4  1  0.05  0.22  0.82  1.0
  P  P5  1  0.68  0.65  0.16  1.0
  P  P6  1  0.4  0.65  0.51  1.0
  P  P7  1  0.77  0.22  0.18  1.0
  Ru  Ru8  1  0.43  0.22  0.17  1.0
  Ru  Ru9  1  0.74  0.65  0.5  1.0
  Ru  Ru10  1  0.01  0.65  0.17  1.0
  Ru  Ru11  1  0.71  0.22  0.83  1.0
  Ru  Ru12  1  0.68  0.22  0.68  1.0
  Ru  Ru13  1  0.04  0.65  0.02  1.0
  Ru  Ru14  1  0.76  0.65  0.65  1.0
  Ru  Ru15  1  0.4  0.22  0.32  1.0

data_Sn3(PRu)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   7.45
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn3(PRu)2
_chemical_formula_sum   'Sn12 P8 Ru8'
_cell_volume   556.31
_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
  Sn  Sn0  2  0.28  0.18  0.27  1.0
  Sn  Sn1  2  0.28  0.2  0.4  1.0
  Sn  Sn2  2  0.28  0.66  0.68  1.0
  Sn  Sn3  2  0.28  0.9  0.06  1.0
  Sn  Sn4  2  0.28  0.92  0.94  1.0
  Sn  Sn5  2  0.28  0.94  0.65  1.0
  P  P6  2  0.28  0.05  0.51  1.0
  P  P7  2  0.28  0.05  0.16  1.0
  P  P8  2  0.28  0.32  0.16  1.0
  P  P9  2  0.28  0.32  0.51  1.0
  Ru  Ru10  2  0.28  0.68  0.65  1.0
  Ru  Ru11  2  0.28  0.71  0.5  1.0
  Ru  Ru12  2  0.28  0.96  0.02  1.0
  Ru  Ru13  2  0.28  0.99  0.17  1.0

Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn P P P P P P P P Ru Ru Ru Ru Ru Ru Ru Ru