data_LiCaOsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCaOsPt
_chemical_formula_sum   'Li1 Ca1 Os1 Pt1'
_cell_volume   69.79
_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
  Ca  Ca0  1  0.63  0.63  0.63  1.0
  Os  Os2  1  0.9  0.9  0.9  1.0
  Pt  Pt3  1  0.27  0.27  0.27  1.0

data_LiCaOsPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   11.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiCaOsPt
_chemical_formula_sum   'Li3 Ca3 Os3 Pt3'
_cell_volume   209.36
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ca  Ca1  3  0.0  0.0  0.37  1.0
  Os  Os2  3  0.0  0.0  0.1  1.0
  Pt  Pt3  3  0.0  0.0  0.73  1.0

Li Ca Os Pt
LiCaOsPt crystallizes in the trigonal R3m space group. Li(1) is bonded in a single-bond geometry to three equivalent Ca(1), one Os(1), and four equivalent Pt(1) atoms. All Li(1)-Ca(1) bond lengths are 2.69 Å. The Li(1)-Os(1) bond length is 1.11 Å. There are three shorter (2.77 Å) and one longer (3.03 Å) Li(1)-Pt(1) bond length. Ca(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), four equivalent Os(1), and three equivalent Pt(1) atoms. There are three shorter (2.77 Å) and one longer (3.03 Å) Ca(1)-Os(1) bond length. All Ca(1)-Pt(1) bond lengths are 2.69 Å. Os(1) is bonded in a single-bond geometry to one Li(1), four equivalent Ca(1), and three equivalent Pt(1) atoms. All Os(1)-Pt(1) bond lengths are 2.69 Å. Pt(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), three equivalent Ca(1), and three equivalent Os(1) atoms.