data_Nb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb2 Pt1'
_cell_volume   60.7
_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  0.68  0.68  0.68  1.0
  Nb  Nb1  1  0.56  0.56  0.56  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_Nb2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   10.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb2Pt
_chemical_formula_sum   'Nb6 Pt3'
_cell_volume   182.09
_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  0.32  1.0
  Nb  Nb1  3  0.0  0.0  0.44  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0

Nb Nb Pt
Nb2Pt crystallizes in the trigonal R3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Nb(2) and four equivalent Pt(1) atoms to form distorted corner-sharing NbNbPt4 trigonal pyramids. The Nb(1)-Nb(2) bond length is 1.29 Å. There are three shorter (2.55 Å) and one longer (3.47 Å) Nb(1)-Pt(1) bond length. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Nb(1) and six equivalent Pt(1) atoms. There are three shorter (2.80 Å) and three longer (3.53 Å) Nb(2)-Pt(1) bond lengths. Pt(1) is bonded in a 10-coordinate geometry to four equivalent Nb(1) and six equivalent Nb(2) atoms.