data_Li4CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4CoOs
_chemical_formula_sum   'Li4 Co1 Os1'
_cell_volume   69.02
_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  0.07  0.07  0.45  1.0
  Li  Li2  1  0.07  0.45  0.07  1.0
  Li  Li3  1  0.45  0.07  0.07  1.0
  Li  Li4  1  0.45  0.45  0.45  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Os  Os5  1  0.88  0.88  0.88  1.0

data_Li4CoOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li4CoOs
_chemical_formula_sum   'Li12 Co3 Os3'
_cell_volume   207.05
_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  9  0.08  0.54  0.47  1.0
  Li  Li1  3  0.0  0.0  0.55  1.0
  Co  Co2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.12  1.0

Li Li Li Li Co Os
Li Li Li Li Co Os 0 5 - - o 0 2 o o o 0 1 o o o 0 3 o o o 0 3 o - o 0 3 - o o 1 5 - o - 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o o 2 5 o - - 2 3 o o o 2 3 o o - 2 3 o - o 3 4 o o + 3 4 o + o 3 4 + o o 3 5 - o o 3 5 o - o 3 5 o o - 4 5 - - - 
Li4OsCo crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted single-bond geometry to two equivalent Li(2) and one Os(1) atom. Both Li(1)-Li(2) bond lengths are 2.49 Å. The Li(1)-Os(1) bond length is 1.67 Å. In the second Li site, Li(2) is bonded in a 9-coordinate geometry to six equivalent Li(1) and three equivalent Co(1) atoms. All Li(2)-Co(1) bond lengths are 2.94 Å. Os(1) is bonded in a trigonal pyramidal geometry to three equivalent Li(1) and one Co(1) atom. The Os(1)-Co(1) bond length is 1.31 Å. Co(1) is bonded in a single-bond geometry to three equivalent Li(2) and one Os(1) atom.