data_Li2Co3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   60.48
_cell_angle_beta   60.48
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3SnO8
_chemical_formula_sum   'Li2 Co3 Sn1 O8'
_cell_volume   139.28
_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  0.45  1.0
  Li  Li1  1  0.0  0.0  0.14  1.0
  Co  Co2  1  0.41  0.81  0.39  1.0
  Co  Co3  1  0.59  0.81  0.39  1.0
  Co  Co4  1  0.0  0.37  0.39  1.0
  Sn  Sn5  1  0.0  0.0  0.59  1.0
  O  O6  1  0.0  0.0  0.4  1.0
  O  O7  1  0.0  0.56  0.47  1.0
  O  O8  1  0.35  0.22  0.47  1.0
  O  O9  1  0.65  0.22  0.47  1.0
  O  O10  1  0.28  0.74  0.77  1.0
  O  O11  1  0.72  0.74  0.77  1.0
  O  O12  1  0.0  0.52  0.77  1.0
  O  O13  1  0.0  0.0  0.66  1.0

data_Li2Co3SnO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   60.48
_cell_angle_beta   60.48
_cell_angle_gamma   60.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Co3SnO8
_chemical_formula_sum   'Li2 Co3 Sn1 O8'
_cell_volume   139.28
_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  0.55  1.0
  Li  Li1  1  0.0  0.0  0.86  1.0
  Co  Co2  1  0.19  0.41  0.61  1.0
  Co  Co3  1  0.19  0.59  0.61  1.0
  Co  Co4  1  0.63  0.0  0.61  1.0
  Sn  Sn5  1  0.0  0.0  0.41  1.0
  O  O6  1  0.0  0.0  0.34  1.0
  O  O7  1  0.0  0.0  0.6  1.0
  O  O8  1  0.26  0.28  0.23  1.0
  O  O9  1  0.26  0.72  0.23  1.0
  O  O10  1  0.44  0.0  0.53  1.0
  O  O11  1  0.48  0.0  0.23  1.0
  O  O12  1  0.78  0.35  0.53  1.0
  O  O13  1  0.78  0.65  0.53  1.0

Li Li Co Co Co Sn O O O O O O O O
Li Li Co Co Co Sn O O O O O O O O 0 6 o o o 0 1 o o o 0 9 - o o 1 6 o o o 2 3 o o o 2 10 o o o 3 10 o o o 4 7 o o o 4 8 o o o 5 13 o o o 5 9 - o o 5 10 o - o 6 9 - o o 7 12 o o o 7 8 o o o 8 9 o o o 10 13 o + o 11 12 + o o 
Li2Co3SnO8 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted linear geometry to one Sn(1), one O(1), one O(4), one O(6), and one O(7) atom. The Li(1)-Sn(1) bond length is 0.85 Å. The Li(1)-O(1) bond length is 0.29 Å. The Li(1)-O(4) bond length is 1.78 Å. The Li(1)-O(6) bond length is 2.26 Å. The Li(1)-O(7) bond length is 2.48 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Co(2), one O(1), one O(4), one O(5), and one O(7) atom. The Li(2)-Co(2) bond length is 2.55 Å. The Li(2)-O(1) bond length is 1.47 Å. The Li(2)-O(4) bond length is 2.32 Å. The Li(2)-O(5) bond length is 2.62 Å. The Li(2)-O(7) bond length is 2.70 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to one Co(2) and one O(5) atom. The Co(1)-Co(2) bond length is 1.05 Å. The Co(1)-O(5) bond length is 1.84 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Li(2), one Co(1), one O(2), one O(3), one O(5), and one O(6) atom. The Co(2)-O(2) bond length is 2.23 Å. The Co(2)-O(3) bond length is 2.21 Å. The Co(2)-O(5) bond length is 2.05 Å. The Co(2)-O(6) bond length is 2.44 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one O(2), one O(3), and one O(4) atom. The Co(3)-O(2) bond length is 1.38 Å. The Co(3)-O(3) bond length is 1.98 Å. The Co(3)-O(4) bond length is 2.38 Å. Sn(1) is bonded in a linear geometry to one Li(1), one O(4), one O(6), one O(7), and one O(8) atom. The Sn(1)-O(4) bond length is 2.07 Å. The Sn(1)-O(6) bond length is 2.29 Å. The Sn(1)-O(7) bond length is 2.45 Å. The Sn(1)-O(8) bond length is 0.37 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Li(1), one Li(2), and one O(4) atom. The O(1)-O(4) bond length is 1.76 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Co(2), one Co(3), and one O(7) atom. The O(2)-O(7) bond length is 1.65 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one O(4) atom. The O(3)-O(4) bond length is 1.71 Å. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Co(3), one Sn(1), one O(1), and one O(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Co(1), one Co(2), and one O(8) atom. The O(5)-O(8) bond length is 1.75 Å. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), one Sn(1), and one O(7) atom. The O(6)-O(7) bond length is 1.50 Å. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Sn(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 Sn(1) and one O(5) atom.