data_Nb5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Pt
_chemical_formula_sum   'Nb5 Pt1'
_cell_volume   107.12
_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  0.35  0.0  0.48  1.0
  Nb  Nb1  1  0.82  0.42  0.48  1.0
  Nb  Nb2  1  0.32  0.9  0.48  1.0
  Nb  Nb3  1  0.5  0.44  0.0  1.0
  Nb  Nb4  1  0.0  0.88  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

data_Nb5Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   120.0
_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   107.12
_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  0.88  1.0
  Nb  Nb1  1  0.0  0.5  0.44  1.0
  Nb  Nb2  1  0.48  0.32  0.9  1.0
  Nb  Nb3  1  0.48  0.35  0.0  1.0
  Nb  Nb4  1  0.48  0.82  0.42  1.0
  Pt  Pt5  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb Pt
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 single-bond geometry to one Nb(2) and one Nb(3) atom. The Nb(1)-Nb(2) bond length is 2.24 Å. The Nb(1)-Nb(3) bond length is 0.44 Å. In the second Nb site, Nb(2) is bonded in a 8-coordinate geometry to one Nb(1), one Nb(3), two equivalent Nb(4), two equivalent Nb(5), and two equivalent Pt(1) atoms. The Nb(2)-Nb(3) bond length is 2.46 Å. There is one shorter (2.91 Å) and one longer (3.07 Å) Nb(2)-Nb(4) bond length. There is one shorter (3.12 Å) and one longer (3.27 Å) Nb(2)-Nb(5) bond length. There is one shorter (3.58 Å) and one longer (3.71 Å) Nb(2)-Pt(1) bond length. In the third Nb site, Nb(3) is bonded in a single-bond geometry to one Nb(1) and one Nb(2) atom. In the fourth Nb site, Nb(4) is bonded in a distorted single-bond geometry to two equivalent Nb(2) and one Pt(1) atom. The Nb(4)-Pt(1) bond length is 2.35 Å. In the fifth Nb site, Nb(5) is bonded in a single-bond geometry to two equivalent Nb(2) and one Pt(1) atom. The Nb(5)-Pt(1) bond length is 0.59 Å. Pt(1) is bonded in a single-bond geometry to one Nb(4), one Nb(5), and two equivalent Nb(2) atoms.