data_Nb2VPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VPt
_chemical_formula_sum   'Nb2 V1 Pt1'
_cell_volume   65.18
_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  0.61  0.61  0.47  1.0
  Nb  Nb1  1  0.61  0.61  0.8  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.14  1.0

data_Nb2VPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2VPt
_chemical_formula_sum   'Nb4 V2 Pt2'
_cell_volume   130.35
_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  2  0.11  0.5  0.47  1.0
  Nb  Nb1  2  0.11  0.5  0.8  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.14  1.0

Nb Nb V Pt
Nb2VPt crystallizes in the monoclinic Cm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 9-coordinate geometry to one Nb(2), four equivalent Nb(1), and four equivalent Pt(1) atoms. The Nb(1)-Nb(2) bond length is 2.05 Å. All Nb(1)-Nb(1) bond lengths are 3.22 Å. There are a spread of Nb(1)-Pt(1) bond distances ranging from 2.76-3.50 Å. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one Nb(1) and three equivalent V(1) atoms. There is one shorter (2.17 Å) and two longer (2.65 Å) Nb(2)-V(1) bond lengths. V(1) is bonded in a single-bond geometry to three equivalent Nb(2) and one Pt(1) atom. The V(1)-Pt(1) bond length is 0.85 Å. Pt(1) is bonded in a single-bond geometry to four equivalent Nb(1) and one V(1) atom.