data_Nb2AgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgP
_chemical_formula_sum   'Nb2 Ag1 P1'
_cell_volume   65.46
_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  Nb1  1  0.51  0.25  0.55  1.0
  Nb  Nb2  1  0.51  0.75  0.55  1.0
  Ag  Ag0  1  0.02  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Nb2AgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   98.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AgP
_chemical_formula_sum   'Nb2 Ag1 P1'
_cell_volume   65.46
_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  0.55  0.51  0.25  1.0
  Nb  Nb1  1  0.55  0.51  0.75  1.0
  Ag  Ag2  1  -0.0  0.02  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Nb Nb Ag P
Nb Nb Ag P 0 2 o o o 0 2 o o + 0 3 o o + 0 1 o o o 0 1 o - o 1 3 + + o 1 3 + + + 1 2 + + + 2 3 o o o 
Nb2AgP crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ag(1), and two equivalent P(1) atoms. Both Nb(1)-Nb(1) bond lengths are 3.10 Å. There is one shorter (2.30 Å) and one longer (2.32 Å) Nb(1)-Nb(2) bond length. There is one shorter (2.77 Å) and one longer (2.93 Å) Nb(1)-Ag(1) bond length. There is one shorter (3.03 Å) and one longer (3.19 Å) Nb(1)-P(1) bond length. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Nb(2), two equivalent Ag(1), and two equivalent P(1) atoms. Both Nb(2)-Nb(2) bond lengths are 3.10 Å. There is one shorter (3.03 Å) and one longer (3.19 Å) Nb(2)-Ag(1) bond length. There is one shorter (2.77 Å) and one longer (2.93 Å) Nb(2)-P(1) bond length. Ag(1) is bonded in a single-bond geometry to two equivalent Nb(1), two equivalent Nb(2), and one P(1) atom. The Ag(1)-P(1) bond length is 0.09 Å. P(1) is bonded in a single-bond geometry to two equivalent Nb(1), two equivalent Nb(2), and one Ag(1) atom.