data_B10P6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   6.14
_cell_length_c   6.43
_cell_angle_alpha   74.23
_cell_angle_beta   74.03
_cell_angle_gamma   68.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B10P6Ru
_chemical_formula_sum   'B10 P6 Ru1'
_cell_volume   196.4
_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
  B  B0  1  0.66  0.55  0.27  1.0
  B  B1  1  0.97  0.37  0.79  1.0
  B  B2  1  0.28  0.52  0.55  1.0
  B  B3  1  0.34  0.4  0.51  1.0
  B  B4  1  0.15  0.67  0.23  1.0
  B  B5  1  0.47  0.25  0.83  1.0
  B  B6  1  0.62  0.32  0.19  1.0
  B  B7  1  0.01  0.6  0.88  1.0
  B  B8  1  0.38  0.27  0.79  1.0
  B  B9  1  0.24  0.65  0.28  1.0
  P  P10  1  0.32  1.0  0.69  1.0
  P  P11  1  0.31  0.92  0.38  1.0
  P  P12  1  0.46  0.98  0.0  1.0
  P  P13  1  0.17  0.94  0.06  1.0
  P  P14  1  0.42  0.16  0.26  1.0
  P  P15  1  0.21  0.76  0.8  1.0
  Ru  Ru16  1  0.0  0.0  0.0  1.0

data_B10P6Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.65
_cell_length_b   6.14
_cell_length_c   6.43
_cell_angle_alpha   74.23
_cell_angle_beta   74.03
_cell_angle_gamma   68.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B10P6Ru
_chemical_formula_sum   'B10 P6 Ru1'
_cell_volume   196.4
_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
  B  B0  1  0.01  0.6  0.88  1.0
  B  B1  1  0.15  0.67  0.23  1.0
  B  B2  1  0.24  0.65  0.28  1.0
  B  B3  1  0.28  0.52  0.55  1.0
  B  B4  1  0.34  0.4  0.51  1.0
  B  B5  1  0.38  0.27  0.79  1.0
  B  B6  1  0.47  0.25  0.83  1.0
  B  B7  1  0.62  0.32  0.19  1.0
  B  B8  1  0.66  0.55  0.27  1.0
  B  B9  1  0.97  0.37  0.79  1.0
  P  P10  1  0.17  0.94  0.06  1.0
  P  P11  1  0.21  0.76  0.8  1.0
  P  P12  1  0.31  0.92  0.38  1.0
  P  P13  1  0.32  1.0  0.69  1.0
  P  P14  1  0.42  0.16  0.26  1.0
  P  P15  1  0.46  0.98  0.0  1.0
  Ru  Ru16  1  0.0  0.0  0.0  1.0

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