data_LiMn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58
_cell_length_b   3.99
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Pt
_chemical_formula_sum   'Li1 Mn2 Pt1'
_cell_volume   48.31
_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
  Mn  Mn1  1  0.29  0.99  0.01  1.0
  Mn  Mn2  1  0.29  0.99  0.68  1.0
  Pt  Pt3  1  0.0  0.0  0.35  1.0

data_LiMn2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.58
_cell_length_b   3.99
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiMn2Pt
_chemical_formula_sum   'Li1 Mn2 Pt1'
_cell_volume   48.31
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn1  1  0.29  0.0  0.01  1.0
  Mn  Mn2  1  0.29  0.0  0.68  1.0
  Pt  Pt3  1  0.0  0.0  0.35  1.0

Li Mn Mn Pt
Li Mn Mn Pt 0 1 o - o 0 2 o - - 0 3 o o o 1 2 o o - 1 3 o + o 2 3 o + o 
LiMn2Pt crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMn2Pt cluster. Li(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Pt(1) atom. The Li(1)-Mn(1) bond length is 0.75 Å. The Li(1)-Pt(1) bond length is 1.62 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Li(1) atom. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Pt(1) atom. The Mn(2)-Pt(1) bond length is 1.74 Å. Pt(1) is bonded in a 2-coordinate geometry to one Li(1) and one Mn(2) atom.