data_Nb2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2PtW
_chemical_formula_sum   'Nb2 Pt1 W1'
_cell_volume   67.54
_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  0.62  0.62  0.62  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.85  0.85  0.85  1.0
  W  W3  1  0.23  0.23  0.23  1.0

data_Nb2PtW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   11.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb2PtW
_chemical_formula_sum   'Nb6 Pt3 W3'
_cell_volume   202.63
_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  0.38  1.0
  Pt  Pt2  3  0.0  0.0  0.15  1.0
  W  W3  3  0.0  0.0  0.77  1.0

Nb Nb Pt W
Nb2WPt is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 10-coordinate geometry to three equivalent Nb(2), three equivalent W(1), and four equivalent Pt(1) atoms. All Nb(1)-Nb(2) bond lengths are 2.70 Å. All Nb(1)-W(1) bond lengths are 2.70 Å. There is one shorter (2.60 Å) and three longer (2.87 Å) Nb(1)-Pt(1) bond lengths. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to three equivalent Nb(1), four equivalent W(1), and one Pt(1) atom. There is one shorter (2.60 Å) and three longer (2.87 Å) Nb(2)-W(1) bond lengths. The Nb(2)-Pt(1) bond length is 1.70 Å. W(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), four equivalent Nb(2), and three equivalent Pt(1) atoms. All W(1)-Pt(1) bond lengths are 2.70 Å. Pt(1) is bonded in a distorted single-bond geometry to one Nb(2), four equivalent Nb(1), and three equivalent W(1) atoms.