data_Li3Co4SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.18
_cell_angle_alpha   120.09
_cell_angle_beta   120.09
_cell_angle_gamma   61.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co4SbO8
_chemical_formula_sum   'Li3 Co4 Sb1 O8'
_cell_volume   159.26
_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  0.77  0.54  0.51  1.0
  Li  Li1  1  0.77  0.46  0.51  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.2  0.0  0.51  1.0
  Co  Co4  1  0.58  0.46  0.0  1.0
  Co  Co5  1  0.58  0.54  0.0  1.0
  Co  Co6  1  0.15  0.0  0.0  1.0
  Sb  Sb7  1  0.35  0.0  0.51  1.0
  O  O8  1  0.76  0.0  0.28  1.0
  O  O9  1  0.49  0.57  0.65  1.0
  O  O10  1  0.49  0.43  0.65  1.0
  O  O11  1  0.94  0.0  0.73  1.0
  O  O12  1  0.9  0.0  0.16  1.0
  O  O13  1  0.21  0.43  0.36  1.0
  O  O14  1  0.21  0.57  0.36  1.0
  O  O15  1  0.8  0.0  0.86  1.0

data_Li3Co4SbO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.09
_cell_angle_alpha   92.38
_cell_angle_beta   118.54
_cell_angle_gamma   118.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Co4SbO8
_chemical_formula_sum   'Li3 Co4 Sb1 O8'
_cell_volume   159.26
_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
  Li  Li1  1  0.27  0.54  0.49  1.0
  Li  Li2  1  0.27  0.46  0.49  1.0
  Co  Co3  1  0.15  0.0  -0.0  1.0
  Co  Co4  1  0.58  0.46  0.0  1.0
  Co  Co5  1  0.58  0.54  -0.0  1.0
  Co  Co6  1  0.69  0.0  0.49  1.0
  Sb  Sb7  1  0.84  0.0  0.49  1.0
  O  O8  1  0.21  0.0  0.27  1.0
  O  O9  1  0.48  0.0  0.72  1.0
  O  O10  1  0.74  0.0  0.84  1.0
  O  O11  1  0.83  0.43  0.35  1.0
  O  O12  1  0.83  0.57  0.35  1.0
  O  O13  1  0.85  0.57  0.64  1.0
  O  O14  1  0.85  0.43  0.64  1.0
  O  O15  1  0.94  0.0  0.14  1.0

Li Li Li Co Co Co Co Sb O O O O O O O O
Li Li Li Co Co Co Co Sb O O O O O O O O 0 1 o o o 2 15 - o - 2 6 o o o 2 11 - o - 2 12 - o o 3 7 o o o 4 5 o o o 6 11 - o - 8 12 o o o 9 10 o o o 11 15 o o o 12 15 o o - 13 14 o o o 
Li3Co4SbO8 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 0.48 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), one O(1), and one O(2) atom. The Li(2)-O(1) bond length is 2.42 Å. The Li(2)-O(2) bond length is 2.03 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one Co(4), one O(4), one O(5), and one O(8) atom. The Li(3)-Co(4) bond length is 0.93 Å. The Li(3)-O(4) bond length is 1.50 Å. The Li(3)-O(5) bond length is 1.38 Å. The Li(3)-O(8) bond length is 1.07 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one Sb(1), one O(1), one O(4), one O(5), and one O(7) atom. The Co(1)-Sb(1) bond length is 0.93 Å. The Co(1)-O(1) bond length is 2.28 Å. The Co(1)-O(4) bond length is 2.53 Å. The Co(1)-O(5) bond length is 2.00 Å. The Co(1)-O(7) bond length is 2.26 Å. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Co(3) atom. The Co(2)-Co(3) bond length is 0.48 Å. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to one Co(2) and one O(3) atom. The Co(3)-O(3) bond length is 1.76 Å. In the fourth Co site, Co(4) is bonded in a 1-coordinate geometry to one Li(3), one O(4), and one O(6) atom. The Co(4)-O(4) bond length is 1.49 Å. The Co(4)-O(6) bond length is 2.48 Å. Sb(1) is bonded in a distorted single-bond geometry to one Co(1) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one O(5) atom. The O(1)-O(5) bond length is 1.39 Å. In the second O site, O(2) is bonded in a distorted water-like geometry to one Li(2), one O(3), and one O(7) atom. The O(2)-O(3) bond length is 0.79 Å. The O(2)-O(7) bond length is 1.72 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Co(3) and one O(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Co(1), one Co(4), and one O(8) atom. The O(4)-O(8) bond length is 1.39 Å. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Li(3), one Co(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Co(4) and one O(7) atom. The O(6)-O(7) bond length is 0.79 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one O(2), and one O(6) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Li(3) and one O(4) atom.