data_NiMoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.11
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoP2
_chemical_formula_sum   'Ni1 Mo1 P2'
_cell_volume   53.49
_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  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.25  0.0  0.81  1.0
  P  P2  1  0.77  0.55  0.47  1.0
  P  P3  1  0.8  0.55  0.16  1.0

data_NiMoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.11
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoP2
_chemical_formula_sum   'Ni1 Mo1 P2'
_cell_volume   53.49
_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  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.25  0.0  0.81  1.0
  P  P2  1  0.77  0.55  0.47  1.0
  P  P3  1  0.8  0.55  0.16  1.0

Ni Mo P P
NiMoP2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and two equivalent P(1) atoms. There is one shorter (1.48 Å) and one longer (2.26 Å) Mo(1)-Ni(1) bond length. There is one shorter (2.56 Å) and one longer (2.76 Å) Mo(1)-P(1) bond length. Ni(1) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent P(2) atoms. There is one shorter (1.85 Å) and one longer (2.11 Å) Ni(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one P(2) atom. The P(1)-P(2) bond length is 1.88 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(1) atom.