data_Nb2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2TcP
_chemical_formula_sum   'Nb2 Tc1 P1'
_cell_volume   62.65
_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
  Nb  Nb0  1  0.18  0.0  0.65  1.0
  Nb  Nb1  1  0.0  0.18  0.65  1.0
  Tc  Tc3  1  0.18  0.18  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Nb2TcP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2TcP
_chemical_formula_sum   'Nb4 Tc2 P2'
_cell_volume   125.29
_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
  Nb  Nb0  4  0.09  0.09  0.65  1.0
  Tc  Tc1  2  0.18  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Nb Nb Tc P
Nb Nb Tc P 0 1 o o o 2 3 o o o 
Nb2TcP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Nb2TcP clusters. Nb(1) is bonded in a 3-coordinate geometry to one Nb(1), one Tc(1), and one P(1) atom. The Nb(1)-Nb(1) bond length is 1.12 Å. The Nb(1)-Tc(1) bond length is 1.41 Å. The Nb(1)-P(1) bond length is 1.41 Å. Tc(1) is bonded in a distorted single-bond geometry to two equivalent Nb(1) and one P(1) atom. The Tc(1)-P(1) bond length is 1.12 Å. P(1) is bonded in a distorted single-bond geometry to two equivalent Nb(1) and one Tc(1) atom.