data_Ni12P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   98.45
_cell_angle_beta   98.45
_cell_angle_gamma   134.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni12P5
_chemical_formula_sum   'Ni12 P5'
_cell_volume   187.56
_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
  Ni  Ni0  1  0.75  0.31  0.73  1.0
  Ni  Ni1  1  0.56  0.99  0.26  1.0
  Ni  Ni2  1  0.3  0.75  0.73  1.0
  Ni  Ni3  1  0.01  0.56  0.26  1.0
  Ni  Ni4  1  0.56  0.99  0.8  1.0
  Ni  Ni5  1  0.75  0.31  0.27  1.0
  Ni  Ni6  1  0.01  0.56  0.8  1.0
  Ni  Ni7  1  0.3  0.75  0.27  1.0
  Ni  Ni8  1  0.78  0.84  0.53  1.0
  Ni  Ni9  1  0.52  0.46  0.0  1.0
  Ni  Ni10  1  0.16  0.78  0.53  1.0
  Ni  Ni11  1  0.15  0.52  0.0  1.0
  P  P12  1  0.06  0.68  0.0  1.0
  P  P13  1  0.25  0.63  0.53  1.0
  P  P14  1  0.63  0.75  0.53  1.0
  P  P15  1  0.68  0.56  0.0  1.0
  P  P16  1  0.0  0.0  0.0  1.0

data_Ni12P5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   81.55
_cell_angle_beta   67.46
_cell_angle_gamma   67.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni12P5
_chemical_formula_sum   'Ni12 P5'
_cell_volume   187.56
_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
  Ni  Ni0  1  0.31  0.43  0.27  1.0
  Ni  Ni1  1  0.31  0.43  0.73  1.0
  Ni  Ni2  1  0.46  0.06  0.0  1.0
  Ni  Ni3  1  0.52  0.63  0.0  1.0
  Ni  Ni4  1  0.56  0.45  0.2  1.0
  Ni  Ni5  1  0.56  0.45  0.74  1.0
  Ni  Ni6  1  0.75  0.55  0.27  1.0
  Ni  Ni7  1  0.75  0.55  0.73  1.0
  Ni  Ni8  1  0.78  0.37  0.47  1.0
  Ni  Ni9  1  0.84  0.94  0.47  1.0
  Ni  Ni10  1  0.99  0.57  0.2  1.0
  Ni  Ni11  1  0.99  0.57  0.74  1.0
  P  P12  1  0.0  0.0  0.0  1.0
  P  P13  1  0.56  0.12  0.0  1.0
  P  P14  1  0.63  0.62  0.47  1.0
  P  P15  1  0.68  0.38  0.0  1.0
  P  P16  1  0.75  0.88  0.47  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P
Ni12P5 crystallizes in the triclinic P1 space group. There are twelve inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ni(5) and one Ni(7) atom. The Ni(1)-Ni(5) bond length is 1.72 Å. The Ni(1)-Ni(7) bond length is 1.18 Å. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(6) and one Ni(8) atom. The Ni(2)-Ni(6) bond length is 1.49 Å. The Ni(2)-Ni(8) bond length is 1.31 Å. In the third Ni site, Ni(3) is bonded in a 4-coordinate geometry to one Ni(11), one Ni(5), one Ni(7), and one P(2) atom. The Ni(3)-Ni(11) bond length is 1.66 Å. The Ni(3)-Ni(5) bond length is 1.18 Å. The Ni(3)-Ni(7) bond length is 1.59 Å. The Ni(3)-P(2) bond length is 1.30 Å. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one Ni(11), one Ni(6), one Ni(8), one P(1), and one P(2) atom. The Ni(4)-Ni(11) bond length is 1.73 Å. The Ni(4)-Ni(6) bond length is 1.31 Å. The Ni(4)-Ni(8) bond length is 1.35 Å. The Ni(4)-P(1) bond length is 1.95 Å. The Ni(4)-P(2) bond length is 1.95 Å. In the fifth Ni site, Ni(5) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(3), and one P(5) atom. The Ni(5)-P(5) bond length is 2.99 Å. In the sixth Ni site, Ni(6) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one Ni(4) atom. In the seventh Ni site, Ni(7) is bonded in a 1-coordinate geometry to one Ni(1), one Ni(3), and one P(1) atom. The Ni(7)-P(1) bond length is 1.30 Å. In the eighth Ni site, Ni(8) is bonded in a 5-coordinate geometry to one Ni(12), one Ni(2), one Ni(4), one P(1), and one P(2) atom. The Ni(8)-Ni(12) bond length is 1.73 Å. The Ni(8)-P(1) bond length is 1.95 Å. The Ni(8)-P(2) bond length is 1.95 Å. In the ninth Ni site, Ni(9) is bonded in a single-bond geometry to one P(3) and one P(5) atom. The Ni(9)-P(3) bond length is 0.72 Å. The Ni(9)-P(5) bond length is 2.91 Å. In the tenth Ni site, Ni(10) is bonded in a single-bond geometry to one P(4) and one P(5) atom. The Ni(10)-P(4) bond length is 0.72 Å. The Ni(10)-P(5) bond length is 2.52 Å. In the eleventh Ni site, Ni(11) is bonded in a distorted single-bond geometry to one Ni(3), one Ni(4), and one P(2) atom. The Ni(11)-P(2) bond length is 1.51 Å. In the twelfth Ni site, Ni(12) is bonded in a distorted single-bond geometry to one Ni(8), one P(1), and one P(5) atom. The Ni(12)-P(1) bond length is 1.51 Å. The Ni(12)-P(5) bond length is 2.83 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Ni(12), one Ni(4), one Ni(7), one Ni(8), and one P(5) atom. The P(1)-P(5) bond length is 2.42 Å. In the second P site, P(2) is bonded in a 2-coordinate geometry to one Ni(11), one Ni(3), one Ni(4), and one Ni(8) atom. In the third P site, P(3) is bonded in a single-bond geometry to one Ni(9) atom. In the fourth P site, P(4) is bonded in a single-bond geometry to one Ni(10) and one P(5) atom. The P(4)-P(5) bond length is 2.07 Å. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to one Ni(10), one Ni(12), one Ni(5), one Ni(9), one P(1), and one P(4) atom.