data_B4P2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.5
_cell_length_b   10.28
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B4P2Ru5
_chemical_formula_sum   'B8 P4 Ru10'
_cell_volume   251.43
_cell_formula_units_Z   2
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
  B  B0  1  0.86  0.13  0.44  1.0
  B  B1  1  0.64  0.15  0.44  1.0
  B  B2  1  0.11  0.01  0.44  1.0
  B  B3  1  0.39  0.28  0.44  1.0
  B  B4  1  0.75  0.83  0.44  1.0
  B  B5  1  0.75  0.46  0.44  1.0
  B  B6  1  0.0  0.32  0.44  1.0
  B  B7  1  0.5  0.97  0.44  1.0
  P  P8  1  0.91  0.93  0.44  1.0
  P  P9  1  0.59  0.36  0.44  1.0
  P  P10  1  0.16  0.21  0.44  1.0
  P  P11  1  0.34  0.07  0.44  1.0
  Ru  Ru12  1  0.62  0.64  0.0  1.0
  Ru  Ru13  1  0.89  0.64  0.0  1.0
  Ru  Ru14  1  0.36  0.5  0.0  1.0
  Ru  Ru15  1  0.14  0.79  0.0  1.0
  Ru  Ru16  1  0.25  0.14  0.0  1.0
  Ru  Ru17  1  0.0  0.0  0.0  1.0
  Ru  Ru18  1  0.25  0.5  0.0  1.0
  Ru  Ru19  1  0.25  0.78  0.0  1.0
  Ru  Ru20  1  0.51  0.64  0.0  1.0
  Ru  Ru21  1  1.0  0.64  0.0  1.0

data_B4P2Ru5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   8.5
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B4P2Ru5
_chemical_formula_sum   'B8 P4 Ru10'
_cell_volume   251.43
_cell_formula_units_Z   2
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
  B  B0  1  0.44  0.0  0.32  1.0
  B  B1  1  0.44  0.11  0.01  1.0
  B  B2  1  0.44  0.39  0.28  1.0
  B  B3  1  0.44  0.5  0.97  1.0
  B  B4  1  0.44  0.64  0.15  1.0
  B  B5  1  0.44  0.75  0.83  1.0
  B  B6  1  0.44  0.75  0.46  1.0
  B  B7  1  0.44  0.86  0.13  1.0
  P  P8  1  0.44  0.16  0.21  1.0
  P  P9  1  0.44  0.34  0.07  1.0
  P  P10  1  0.44  0.59  0.36  1.0
  P  P11  1  0.44  0.91  0.93  1.0
  Ru  Ru12  1  0.0  0.0  0.0  1.0
  Ru  Ru13  1  0.0  0.14  0.79  1.0
  Ru  Ru14  1  0.0  0.25  0.78  1.0
  Ru  Ru15  1  0.0  0.25  0.14  1.0
  Ru  Ru16  1  0.0  0.25  0.5  1.0
  Ru  Ru17  1  0.0  0.36  0.5  1.0
  Ru  Ru18  1  0.0  0.51  0.64  1.0
  Ru  Ru19  1  0.0  0.62  0.64  1.0
  Ru  Ru20  1  0.0  0.89  0.64  1.0
  Ru  Ru21  1  0.0  1.0  0.64  1.0

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