data_AlNiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   3.47
_cell_angle_alpha   102.6
_cell_angle_beta   102.6
_cell_angle_gamma   106.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiP2
_chemical_formula_sum   'Al1 Ni1 P2'
_cell_volume   55.6
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.53  0.0  0.0  1.0
  P  P2  1  0.63  0.3  0.61  1.0
  P  P3  1  0.63  0.7  0.61  1.0

data_AlNiP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   106.62
_cell_angle_beta   102.6
_cell_angle_gamma   102.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiP2
_chemical_formula_sum   'Al1 Ni1 P2'
_cell_volume   55.6
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  -0.0  0.53  0.0  1.0
  P  P2  1  0.61  0.63  0.3  1.0
  P  P3  1  0.61  0.63  0.7  1.0

Al Ni P P
Al Ni P P 0 3 - - - 0 1 - o o 0 1 o o o 1 2 o o - 1 2 o o o 1 3 o - - 2 3 o o o 
NiAlP2 crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Al(1), two equivalent P(1), and two equivalent P(2) atoms. There is one shorter (1.98 Å) and one longer (2.26 Å) Ni(1)-Al(1) bond length. There is one shorter (2.07 Å) and one longer (2.11 Å) Ni(1)-P(1) bond length. There is one shorter (1.85 Å) and one longer (2.72 Å) Ni(1)-P(2) bond length. Al(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(2) atom. The Al(1)-P(2) bond length is 1.74 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(2) atom. The P(1)-P(2) bond length is 1.70 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1), one Al(1), and one P(1) atom.