data_P8Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   100.24
_cell_angle_beta   100.24
_cell_angle_gamma   130.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P8Ru
_chemical_formula_sum   'P8 Ru1'
_cell_volume   130.82
_cell_formula_units_Z   1
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
  P  P0  1  0.14  0.86  0.42  1.0
  P  P1  1  0.86  0.14  0.42  1.0
  P  P2  1  0.45  0.0  0.0  1.0
  P  P3  1  0.14  0.14  0.42  1.0
  P  P4  1  0.0  0.45  0.0  1.0
  P  P5  1  0.54  0.54  0.0  1.0
  P  P6  1  0.9  0.0  0.0  1.0
  P  P7  1  0.0  0.9  0.0  1.0
  Ru  Ru8  1  0.0  0.0  0.0  1.0

data_P8Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   10.4
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   114.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P8Ru
_chemical_formula_sum   'P16 Ru2'
_cell_volume   261.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  P  P0  4  0.0  0.14  0.58  1.0
  P  P1  4  0.05  0.95  0.0  1.0
  P  P2  4  0.27  0.27  0.0  1.0
  P  P3  2  0.36  0.5  0.58  1.0
  P  P4  2  0.46  0.0  0.0  1.0
  Ru  Ru5  2  0.0  0.0  0.0  1.0

P P P P P P P P Ru
P P P P P P P P Ru 0 3 o + o 0 4 o o o 1 3 + o o 1 2 o o o 2 7 o - o 2 4 o - o 2 4 + o o 2 5 o o o 2 8 o o o 2 6 o o o 4 7 o o o 4 8 o o o 4 6 - o o 4 5 o o o 5 8 + + o 5 7 + o o 5 6 o + o 6 8 + o o 7 8 o + o 