data_Li3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   146.42
_cell_angle_beta   63.33
_cell_angle_gamma   128.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Pt
_chemical_formula_sum   'Li3 Pt1'
_cell_volume   57.12
_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
  Li  Li0  1  0.0  0.58  0.15  1.0
  Li  Li1  1  0.0  0.0  0.82  1.0
  Li  Li2  1  0.0  0.1  0.15  1.0
  Pt  Pt3  1  0.47  0.0  0.6  1.0

data_Li3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.47
_cell_length_c   5.1
_cell_angle_alpha   116.0
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Pt
_chemical_formula_sum   'Li3 Pt1'
_cell_volume   57.12
_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
  Li  Li0  1  0.15  0.05  0.05  1.0
  Li  Li1  1  0.15  0.57  0.57  1.0
  Li  Li2  1  0.82  0.82  0.82  1.0
  Pt  Pt3  1  0.6  0.6  0.07  1.0

Li Li Li Pt
Li3Pt crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Li(2) and two equivalent Pt(1) atoms. There is one shorter (1.82 Å) and one longer (2.02 Å) Li(1)-Li(2) bond length. There is one shorter (2.45 Å) and one longer (2.66 Å) Li(1)-Pt(1) bond length. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(3), two equivalent Li(1), and one Pt(1) atom. The Li(2)-Li(3) bond length is 1.30 Å. The Li(2)-Pt(1) bond length is 2.15 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Li(2) and two equivalent Pt(1) atoms. There is one shorter (2.44 Å) and one longer (2.72 Å) Li(3)-Pt(1) bond length. Pt(1) is bonded in a 1-coordinate geometry to one Li(2), two equivalent Li(1), and two equivalent Li(3) atoms.