data_Li2NbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   121.07
_cell_angle_beta   121.07
_cell_angle_gamma   88.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbPt
_chemical_formula_sum   'Li2 Nb1 Pt1'
_cell_volume   59.13
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.16  0.58  1.0
  Nb  Nb2  1  0.0  0.0  0.16  1.0
  Pt  Pt3  1  0.16  0.0  0.58  1.0

data_Li2NbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.4
_cell_angle_alpha   119.46
_cell_angle_beta   119.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbPt
_chemical_formula_sum   'Li2 Nb1 Pt1'
_cell_volume   59.13
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.42  0.58  0.42  1.0
  Nb  Nb2  1  0.16  0.16  0.16  1.0
  Pt  Pt3  1  0.58  0.42  0.42  1.0

Li Li Nb Pt
Li Li Nb Pt 0 2 o o o 1 3 o o o 
NbLiLiPt is diamond structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiPt cluster and one NbLi cluster. In the LiPt cluster, Li(2) is bonded in a distorted single-bond geometry to one Pt(1) atom. The Li(2)-Pt(1) bond length is 1.00 Å. Pt(1) is bonded in a distorted single-bond geometry to one Li(2) atom. In the NbLi cluster, Li(1) is bonded in a single-bond geometry to one Nb(1) atom. The Li(1)-Nb(1) bond length is 0.70 Å. Nb(1) is bonded in a distorted single-bond geometry to one Li(1) atom.