data_Nb3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Pt
_chemical_formula_sum   'Nb3 Pt1'
_cell_volume   68.97
_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  0.88  0.88  0.88  1.0
  Nb  Nb1  1  0.63  0.63  0.63  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.25  0.25  0.25  1.0

data_Nb3Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb3Pt
_chemical_formula_sum   'Nb9 Pt3'
_cell_volume   206.91
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Nb  Nb1  3  0.0  0.0  0.12  1.0
  Nb  Nb2  3  0.0  0.0  0.37  1.0
  Pt  Pt3  3  0.0  0.0  0.75  1.0

Nb Nb Nb Pt
Nb3Pt is alpha bismuth trifluoride structured and crystallizes in the trigonal R3m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to one Nb(3) and three equivalent Pt(1) atoms. The Nb(1)-Nb(3) bond length is 1.33 Å. All Nb(1)-Pt(1) bond lengths are 2.69 Å. In the second Nb site, Nb(2) is bonded in a 3-coordinate geometry to three equivalent Pt(1) atoms. All Nb(2)-Pt(1) bond lengths are 2.69 Å. In the third Nb site, Nb(3) is bonded in a 1-coordinate geometry to one Nb(1) and four equivalent Pt(1) atoms. There are three shorter (2.80 Å) and one longer (2.87 Å) Nb(3)-Pt(1) bond length. Pt(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Nb(2), and four equivalent Nb(3) atoms.