data_LiCoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoPt2
_chemical_formula_sum   'Li1 Co1 Pt2'
_cell_volume   52.62
_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  Li1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.73  0.0  0.0  1.0
  Pt  Pt2  1  0.37  0.79  0.35  1.0
  Pt  Pt3  1  0.37  0.21  0.35  1.0

data_LiCoPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   105.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCoPt2
_chemical_formula_sum   'Li1 Co1 Pt2'
_cell_volume   52.62
_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
  Co  Co1  1  0.0  0.73  0.0  1.0
  Pt  Pt2  1  0.35  0.37  0.21  1.0
  Pt  Pt3  1  0.35  0.37  0.79  1.0

Li Co Pt Pt
Li Co Pt Pt 0 1 - o o 0 2 o - o 0 3 o o o 1 2 o - o 1 3 o o o 2 3 o + o 
LiCoPt2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to one Co(1), one Pt(2), and two equivalent Pt(1) atoms. The Li(1)-Co(1) bond length is 1.21 Å. The Li(1)-Pt(2) bond length is 1.92 Å. There is one shorter (2.31 Å) and one longer (2.75 Å) Li(1)-Pt(1) bond length. Co(1) is bonded in a distorted single-bond geometry to one Li(1) and two equivalent Pt(1) atoms. There is one shorter (1.92 Å) and one longer (2.43 Å) Co(1)-Pt(1) bond length. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Co(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. Both Pt(1)-Pt(1) bond lengths are 2.69 Å. There is one shorter (1.92 Å) and one longer (2.58 Å) Pt(1)-Pt(2) bond length. In the second Pt site, Pt(2) is bonded in a 1-coordinate geometry to one Li(1) and two equivalent Pt(1) atoms.