data_Ni3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   11.85
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3P
_chemical_formula_sum   'Ni18 P6'
_cell_volume   261.95
_cell_formula_units_Z   6
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  0.25  0.22  0.11  1.0
  Ni  Ni1  1  0.25  0.63  0.11  1.0
  Ni  Ni2  1  0.18  0.92  0.23  1.0
  Ni  Ni3  1  0.31  0.0  0.21  1.0
  Ni  Ni4  1  0.24  0.14  0.34  1.0
  Ni  Ni5  1  0.24  0.7  0.34  1.0
  Ni  Ni6  1  0.49  0.0  0.42  1.0
  Ni  Ni7  1  0.49  0.5  0.97  1.0
  Ni  Ni8  1  0.49  0.35  0.97  1.0
  Ni  Ni9  1  0.73  0.22  0.11  1.0
  Ni  Ni10  1  0.73  0.63  0.11  1.0
  Ni  Ni11  1  0.79  0.92  0.23  1.0
  Ni  Ni12  1  0.67  0.0  0.21  1.0
  Ni  Ni13  1  0.73  0.14  0.34  1.0
  Ni  Ni14  1  0.73  0.7  0.34  1.0
  Ni  Ni15  1  0.0  0.92  0.02  1.0
  Ni  Ni16  1  0.0  0.57  0.47  1.0
  Ni  Ni17  1  0.0  0.27  0.47  1.0
  P  P18  1  0.49  0.92  0.93  1.0
  P  P19  1  0.49  0.85  0.06  1.0
  P  P20  1  0.49  1.0  0.06  1.0
  P  P21  1  0.0  0.0  0.52  1.0
  P  P22  1  0.0  0.77  0.38  1.0
  P  P23  1  0.0  0.07  0.38  1.0

data_Ni3P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.97
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3P
_chemical_formula_sum   'Ni18 P6'
_cell_volume   261.95
_cell_formula_units_Z   6
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  0.02  0.0  0.92  1.0
  Ni  Ni1  1  0.11  0.25  0.22  1.0
  Ni  Ni2  1  0.11  0.25  0.63  1.0
  Ni  Ni3  1  0.11  0.73  0.22  1.0
  Ni  Ni4  1  0.11  0.73  0.63  1.0
  Ni  Ni5  1  0.21  0.31  0.0  1.0
  Ni  Ni6  1  0.21  0.67  0.0  1.0
  Ni  Ni7  1  0.23  0.18  0.92  1.0
  Ni  Ni8  1  0.23  0.79  0.92  1.0
  Ni  Ni9  1  0.34  0.24  0.14  1.0
  Ni  Ni10  1  0.34  0.24  0.7  1.0
  Ni  Ni11  1  0.34  0.73  0.14  1.0
  Ni  Ni12  1  0.34  0.73  0.7  1.0
  Ni  Ni13  1  0.42  0.49  0.0  1.0
  Ni  Ni14  1  0.47  0.0  0.27  1.0
  Ni  Ni15  1  0.47  0.0  0.57  1.0
  Ni  Ni16  1  0.97  0.49  0.35  1.0
  Ni  Ni17  1  0.97  0.49  0.5  1.0
  P  P18  1  0.06  0.49  0.85  1.0
  P  P19  1  0.06  0.49  1.0  1.0
  P  P20  1  0.38  0.0  0.07  1.0
  P  P21  1  0.38  0.0  0.77  1.0
  P  P22  1  0.52  0.0  0.0  1.0
  P  P23  1  0.93  0.49  0.92  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P P
Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni P P P P P P 0 4 o o o 0 8 o o - 0 17 o o o 1 5 o o o 1 7 o o - 1 16 o o o 2 15 o o o 2 3 o + o 3 20 o - o 3 6 o o o 4 23 o o o 4 17 o o o 5 22 o o o 5 16 o o o 6 12 o o o 7 8 o o o 7 10 o o + 8 9 o o + 9 13 o o o 9 17 + o o 10 14 o o o 10 16 + o o 11 12 o + o 11 15 + o o 12 20 o - o 13 23 + o o 13 17 + o o 14 22 + o o 14 16 + o o 16 22 o o o 17 23 o o o 18 19 o o + 18 20 o o + 21 23 o o o 
Ni3P crystallizes in the triclinic P1 space group. There are eighteen inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ni(18), one Ni(5), and one Ni(9) atom. The Ni(1)-Ni(18) bond length is 2.12 Å. The Ni(1)-Ni(5) bond length is 1.35 Å. The Ni(1)-Ni(9) bond length is 2.02 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Ni(17), one Ni(6), and one Ni(8) atom. The Ni(2)-Ni(17) bond length is 2.12 Å. The Ni(2)-Ni(6) bond length is 1.35 Å. The Ni(2)-Ni(8) bond length is 2.02 Å. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one Ni(16), one Ni(4), one P(2), one P(4), and one P(5) atom. The Ni(3)-Ni(16) bond length is 1.29 Å. The Ni(3)-Ni(4) bond length is 1.10 Å. The Ni(3)-P(2) bond length is 1.91 Å. The Ni(3)-P(4) bond length is 1.79 Å. The Ni(3)-P(5) bond length is 2.09 Å. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Ni(3), one Ni(7), and one P(3) atom. The Ni(4)-Ni(7) bond length is 1.29 Å. The Ni(4)-P(3) bond length is 1.12 Å. In the fifth Ni site, Ni(5) is bonded in a 2-coordinate geometry to one Ni(1), one Ni(18), and one P(6) atom. The Ni(5)-Ni(18) bond length is 2.02 Å. The Ni(5)-P(6) bond length is 1.48 Å. In the sixth Ni site, Ni(6) is bonded in a 2-coordinate geometry to one Ni(17), one Ni(2), one P(2), and one P(5) atom. The Ni(6)-Ni(17) bond length is 2.02 Å. The Ni(6)-P(2) bond length is 2.46 Å. The Ni(6)-P(5) bond length is 1.48 Å. In the seventh Ni site, Ni(7) is bonded in a 2-coordinate geometry to one Ni(13) and one Ni(4) atom. The Ni(7)-Ni(13) bond length is 1.29 Å. In the eighth Ni site, Ni(8) is bonded in a 3-coordinate geometry to one Ni(11), one Ni(2), and one Ni(9) atom. The Ni(8)-Ni(11) bond length is 2.02 Å. The Ni(8)-Ni(9) bond length is 1.77 Å. In the ninth Ni site, Ni(9) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(10), and one Ni(8) atom. The Ni(9)-Ni(10) bond length is 2.02 Å. In the tenth Ni site, Ni(10) is bonded in a distorted single-bond geometry to one Ni(14), one Ni(18), and one Ni(9) atom. The Ni(10)-Ni(14) bond length is 1.35 Å. The Ni(10)-Ni(18) bond length is 2.20 Å. In the eleventh Ni site, Ni(11) is bonded in a distorted single-bond geometry to one Ni(15), one Ni(17), and one Ni(8) atom. The Ni(11)-Ni(15) bond length is 1.35 Å. The Ni(11)-Ni(17) bond length is 2.20 Å. In the twelfth Ni site, Ni(12) is bonded in a 5-coordinate geometry to one Ni(13), one Ni(16), one P(2), one P(4), and one P(5) atom. The Ni(12)-Ni(13) bond length is 1.10 Å. The Ni(12)-Ni(16) bond length is 1.40 Å. The Ni(12)-P(2) bond length is 1.91 Å. The Ni(12)-P(4) bond length is 1.86 Å. The Ni(12)-P(5) bond length is 2.15 Å. In the thirteenth Ni site, Ni(13) is bonded in a 3-coordinate geometry to one Ni(12), one Ni(7), and one P(3) atom. The Ni(13)-P(3) bond length is 1.12 Å. In the fourteenth Ni site, Ni(14) is bonded in a 2-coordinate geometry to one Ni(10), one Ni(18), and one P(6) atom. The Ni(14)-Ni(18) bond length is 2.11 Å. The Ni(14)-P(6) bond length is 1.60 Å. In the fifteenth Ni site, Ni(15) is bonded in a 2-coordinate geometry to one Ni(11), one Ni(17), one P(2), and one P(5) atom. The Ni(15)-Ni(17) bond length is 2.11 Å. The Ni(15)-P(2) bond length is 2.46 Å. The Ni(15)-P(5) bond length is 1.60 Å. In the sixteenth Ni site, Ni(16) is bonded in a 3-coordinate geometry to one Ni(12), one Ni(3), and one P(4) atom. The Ni(16)-P(4) bond length is 2.43 Å. In the seventeenth Ni site, Ni(17) is bonded in a 4-coordinate geometry to one Ni(11), one Ni(15), one Ni(2), and one Ni(6) atom. In the eighteenth Ni site, Ni(18) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(10), one Ni(14), and one Ni(5) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one P(2) and one P(3) atom. The P(1)-P(2) bond length is 1.04 Å. The P(1)-P(3) bond length is 1.04 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to one Ni(12), one Ni(15), one Ni(3), one Ni(6), and one P(1) atom. In the third P site, P(3) is bonded in a distorted trigonal non-coplanar geometry to one Ni(13), one Ni(4), and one P(1) atom. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Ni(12), one Ni(16), one Ni(3), and one P(6) atom. The P(4)-P(6) bond length is 1.04 Å. In the fifth P site, P(5) is bonded in a 2-coordinate geometry to one Ni(12), one Ni(15), one Ni(3), and one Ni(6) atom. In the sixth P site, P(6) is bonded in a 3-coordinate geometry to one Ni(14), one Ni(5), and one P(4) atom.