data_Ni2Sb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   7.05
_cell_angle_alpha   149.73
_cell_angle_beta   149.73
_cell_angle_gamma   43.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Sb2P
_chemical_formula_sum   'Ni2 Sb2 P1'
_cell_volume   88.8
_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  0.84  0.28  1.0
  Ni  Ni1  1  0.84  0.0  0.28  1.0
  Sb  Sb3  1  0.0  0.0  0.03  1.0
  Sb  Sb4  1  0.0  0.0  0.07  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ni2Sb2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   111.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2Sb2P
_chemical_formula_sum   'Ni4 Sb4 P2'
_cell_volume   177.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.08  0.44  1.0
  Sb  Sb1  2  0.03  0.0  0.03  1.0
  Sb  Sb2  2  0.07  0.0  0.07  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ni Ni Sb Sb P
Ni Ni Sb Sb P 0 1 - + o 2 4 o o o 2 3 o o o 
(Ni)2Sb2P is alpha carbon monoxide-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ni clusters and two Sb2P clusters. In each Ni cluster, Ni(1) is bonded in a distorted single-bond geometry to one Ni(1) atom. The Ni(1)-Ni(1) bond length is 0.83 Å. In each Sb2P cluster, there are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a linear geometry to one Sb(2) and one P(1) atom. The Sb(1)-Sb(2) bond length is 0.27 Å. The Sb(1)-P(1) bond length is 0.23 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Sb(1) atom. P(1) is bonded in a single-bond geometry to one Sb(1) atom.