data_SnPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   3.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPRu
_chemical_formula_sum   'Sn3 P3 Ru3'
_cell_volume   153.09
_cell_formula_units_Z   3
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  Sn6  1  0.59  0.44  0.0  1.0
  Sn  Sn7  1  0.09  0.61  0.0  1.0
  Sn  Sn8  1  0.82  0.0  0.0  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.49  0.02  0.81  1.0
  P  P2  1  0.0  0.03  0.81  1.0
  Ru  Ru3  1  0.33  0.62  0.81  1.0
  Ru  Ru4  1  0.83  0.43  0.81  1.0
  Ru  Ru5  1  0.34  0.0  0.81  1.0

data_SnPRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPRu
_chemical_formula_sum   'Sn3 P3 Ru3'
_cell_volume   153.09
_cell_formula_units_Z   3
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  Sn0  1  0.0  0.09  0.61  1.0
  Sn  Sn1  1  0.0  0.59  0.44  1.0
  Sn  Sn2  1  0.0  0.82  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  P  P4  1  0.81  0.0  0.03  1.0
  P  P5  1  0.81  0.49  0.02  1.0
  Ru  Ru6  1  0.81  0.33  0.62  1.0
  Ru  Ru7  1  0.81  0.34  0.0  1.0
  Ru  Ru8  1  0.81  0.83  0.43  1.0

Sn Sn Sn P P P Ru Ru Ru