data_Li2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   17.29
_cell_angle_beta   17.29
_cell_angle_gamma   17.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuPt
_chemical_formula_sum   'Li2 Ru1 Pt1'
_cell_volume   55.4
_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  0.6  1.0
  Li  Li1  1  0.0  0.0  0.86  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.23  1.0

data_Li2RuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   2.69
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   99.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2RuPt
_chemical_formula_sum   'Li4 Ru2 Pt2'
_cell_volume   110.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.14  1.0
  Li  Li1  2  0.0  0.0  0.4  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.77  1.0

Li Li Ru Pt
Li Li Ru Pt 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 1 2 o o + 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Li2RuPt crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one Li(2), six equivalent Li(1), and one Pt(1) atom to form a mixture of distorted corner and edge-sharing LiLi7Pt hexagonal bipyramids. The Li(1)-Li(2) bond length is 2.32 Å. All Li(1)-Li(1) bond lengths are 2.69 Å. The Li(1)-Pt(1) bond length is 3.32 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Li(1) and one Ru(1) atom. The Li(2)-Ru(1) bond length is 1.23 Å. Ru(1) is bonded in a single-bond geometry to one Li(2) and one Pt(1) atom. The Ru(1)-Pt(1) bond length is 2.09 Å. Pt(1) is bonded in a distorted single-bond geometry to one Li(1) and one Ru(1) atom.