data_Nb5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   19.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Pt
_chemical_formula_sum   'Nb5 Pt1'
_cell_volume   106.15
_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  0.0  0.0  0.95  1.0
  Nb  Nb1  1  0.0  0.0  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.32  1.0
  Nb  Nb3  1  0.46  0.0  0.92  1.0
  Nb  Nb4  1  0.46  0.0  0.73  1.0
  Pt  Pt5  1  0.46  0.0  0.29  1.0

data_Nb5Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.92
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Pt
_chemical_formula_sum   'Nb5 Pt1'
_cell_volume   106.15
_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  0.05  0.0  0.05  1.0
  Nb  Nb1  1  0.08  0.46  0.08  1.0
  Nb  Nb2  1  0.27  0.46  0.27  1.0
  Nb  Nb3  1  0.38  0.0  0.38  1.0
  Nb  Nb4  1  0.68  0.0  0.68  1.0
  Pt  Pt5  1  0.71  0.46  0.71  1.0

Nb Nb Nb Nb Nb Pt
Nb Nb Nb Nb Nb Pt 0 3 - o o 0 3 o o o 0 0 o + - 0 4 o o o 0 1 o o o 1 4 - o o 1 4 o o o 1 1 o + - 1 2 o o o 2 5 - o o 2 5 o o o 2 2 o + - 3 4 o o o 5 5 o + - 
Nb5Pt crystallizes in the triclinic P1 space group. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Nb(2), one Nb(3), two equivalent Nb(1), and two equivalent Nb(4) atoms. The Nb(1)-Nb(2) bond length is 2.65 Å. The Nb(1)-Nb(3) bond length is 3.06 Å. Both Nb(1)-Nb(1) bond lengths are 2.69 Å. There is one shorter (2.27 Å) and one longer (2.68 Å) Nb(1)-Nb(4) bond length. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Nb(1), one Nb(3), two equivalent Nb(2), and two equivalent Nb(5) atoms. The Nb(2)-Nb(3) bond length is 2.43 Å. Both Nb(2)-Nb(2) bond lengths are 2.69 Å. There is one shorter (2.41 Å) and one longer (2.79 Å) Nb(2)-Nb(5) bond length. In the third Nb site, Nb(3) is bonded in a 2-coordinate geometry to one Nb(1), one Nb(2), and two equivalent Pt(1) atoms. There is one shorter (2.27 Å) and one longer (2.68 Å) Nb(3)-Pt(1) bond length. In the fourth Nb site, Nb(4) is bonded in a 1-coordinate geometry to one Nb(5) and two equivalent Nb(1) atoms. The Nb(4)-Nb(5) bond length is 1.54 Å. In the fifth Nb site, Nb(5) is bonded in a distorted single-bond geometry to one Nb(4) and two equivalent Nb(2) atoms. Pt(1) is bonded in a 2-coordinate geometry to two equivalent Nb(3) atoms.