data_B9Mo3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B9Mo3P2
_chemical_formula_sum   'B18 Mo6 P4'
_cell_volume   259.24
_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  0.34  0.93  0.17  1.0
  B  B1  1  0.6  0.93  0.17  1.0
  B  B2  1  0.47  0.42  0.17  1.0
  B  B3  1  0.13  0.35  0.06  1.0
  B  B4  1  0.87  0.35  0.06  1.0
  B  B5  1  0.0  0.86  0.06  1.0
  B  B6  1  0.42  0.77  0.44  1.0
  B  B7  1  0.0  0.03  0.44  1.0
  B  B8  1  0.58  0.77  0.44  1.0
  B  B9  1  0.05  0.52  0.33  1.0
  B  B10  1  0.47  0.25  0.33  1.0
  B  B11  1  0.89  0.52  0.33  1.0
  B  B12  1  0.05  0.52  0.78  1.0
  B  B13  1  0.47  0.25  0.78  1.0
  B  B14  1  0.89  0.52  0.78  1.0
  B  B15  1  0.42  0.77  0.9  1.0
  B  B16  1  0.0  0.03  0.9  1.0
  B  B17  1  0.58  0.77  0.9  1.0
  Mo  Mo18  1  0.0  0.0  0.17  1.0
  Mo  Mo19  1  0.0  0.0  0.06  1.0
  Mo  Mo20  1  0.0  0.86  0.51  1.0
  Mo  Mo21  1  0.47  0.43  0.63  1.0
  Mo  Mo22  1  0.47  0.43  0.71  1.0
  Mo  Mo23  1  0.0  0.86  0.6  1.0
  P  P24  1  0.0  0.86  0.36  1.0
  P  P25  1  0.47  0.43  0.25  1.0
  P  P26  1  0.47  0.43  0.86  1.0
  P  P27  1  0.0  0.86  0.98  1.0

data_B9Mo3P2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B9Mo3P2
_chemical_formula_sum   'B18 Mo6 P4'
_cell_volume   259.24
_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  0.0  0.03  0.44  1.0
  B  B1  1  0.0  0.03  0.9  1.0
  B  B2  1  0.0  0.86  0.06  1.0
  B  B3  1  0.05  0.52  0.33  1.0
  B  B4  1  0.05  0.52  0.78  1.0
  B  B5  1  0.13  0.35  0.06  1.0
  B  B6  1  0.34  0.93  0.17  1.0
  B  B7  1  0.42  0.77  0.44  1.0
  B  B8  1  0.42  0.77  0.9  1.0
  B  B9  1  0.47  0.25  0.33  1.0
  B  B10  1  0.47  0.25  0.78  1.0
  B  B11  1  0.47  0.42  0.17  1.0
  B  B12  1  0.58  0.77  0.44  1.0
  B  B13  1  0.58  0.77  0.9  1.0
  B  B14  1  0.6  0.93  0.17  1.0
  B  B15  1  0.87  0.35  0.06  1.0
  B  B16  1  0.89  0.52  0.33  1.0
  B  B17  1  0.89  0.52  0.78  1.0
  Mo  Mo18  1  0.0  0.0  0.06  1.0
  Mo  Mo19  1  0.0  0.0  0.17  1.0
  Mo  Mo20  1  0.0  0.86  0.51  1.0
  Mo  Mo21  1  0.0  0.86  0.6  1.0
  Mo  Mo22  1  0.47  0.43  0.63  1.0
  Mo  Mo23  1  0.47  0.43  0.71  1.0
  P  P24  1  0.0  0.86  0.36  1.0
  P  P25  1  0.0  0.86  0.98  1.0
  P  P26  1  0.47  0.43  0.25  1.0
  P  P27  1  0.47  0.43  0.86  1.0

B B B B B B B B B B B B B B B B B B Mo Mo Mo Mo Mo Mo P P P P
B B B B B B B B B B B B B B B B B B Mo Mo Mo Mo Mo Mo P P P P 0 1 o o o 2 25 o o o 3 4 - o o 3 19 o o o 5 19 o + o 5 18 o + o 5 27 o o - 6 8 o o o 7 24 o - o 7 20 o - o 9 11 - o o 10 25 o o o 11 24 + o o 12 14 - o o 13 22 o o o 13 26 o o o 15 17 o o o 16 27 o - o 17 26 o o o 18 19 o o o 20 23 o o o 21 22 o o o 