data_Li16Ta2N8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.2
_cell_length_b   9.2
_cell_length_c   9.2
_cell_angle_alpha   38.07
_cell_angle_beta   38.07
_cell_angle_gamma   38.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li16Ta2N8O
_chemical_formula_sum   'Li16 Ta2 N8 O1'
_cell_volume   265.69
_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  0.89  1.0
  Li  Li1  1  0.0  0.0  0.67  1.0
  Li  Li2  1  0.0  0.0  0.58  1.0
  Li  Li3  1  0.0  0.0  0.99  1.0
  Li  Li4  1  0.18  0.69  0.44  1.0
  Li  Li5  1  0.95  0.44  0.44  1.0
  Li  Li6  1  0.88  0.87  0.44  1.0
  Li  Li7  1  0.82  0.31  0.13  1.0
  Li  Li8  1  0.05  0.56  0.13  1.0
  Li  Li9  1  0.12  0.13  0.13  1.0
  Li  Li10  1  0.24  0.44  0.42  1.0
  Li  Li11  1  0.98  0.29  0.15  1.0
  Li  Li12  1  0.27  0.14  0.15  1.0
  Li  Li13  1  0.76  0.56  0.15  1.0
  Li  Li14  1  0.02  0.71  0.42  1.0
  Li  Li15  1  0.73  0.86  0.42  1.0
  Ta  Ta16  1  0.0  0.0  0.19  1.0
  Ta  Ta17  1  0.0  0.0  0.37  1.0
  N  N18  1  0.13  0.28  0.3  1.0
  N  N19  1  0.0  0.0  0.23  1.0
  N  N20  1  0.0  0.0  0.34  1.0
  N  N21  1  0.93  0.84  0.3  1.0
  N  N22  1  0.94  0.88  0.3  1.0
  N  N23  1  0.06  0.12  0.26  1.0
  N  N24  1  0.07  0.16  0.26  1.0
  N  N25  1  0.87  0.72  0.26  1.0
  O  O26  1  0.0  0.0  0.0  1.0

data_Li16Ta2N8O
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   9.2
_cell_angle_alpha   70.97
_cell_angle_beta   70.97
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li16Ta2N8O
_chemical_formula_sum   'Li16 Ta2 N8 O1'
_cell_volume   265.69
_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  0.01  0.99  1.0
  Li  Li1  1  0.0  0.11  0.89  1.0
  Li  Li2  1  0.0  0.33  0.67  1.0
  Li  Li3  1  0.0  0.42  0.58  1.0
  Li  Li4  1  0.13  0.56  0.18  1.0
  Li  Li5  1  0.14  0.58  0.01  1.0
  Li  Li6  1  0.29  0.58  0.15  1.0
  Li  Li7  1  0.31  0.56  0.31  1.0
  Li  Li8  1  0.44  0.85  0.47  1.0
  Li  Li9  1  0.44  0.87  0.74  1.0
  Li  Li10  1  0.56  0.56  0.83  1.0
  Li  Li11  1  0.56  0.58  0.09  1.0
  Li  Li12  1  0.69  0.87  0.26  1.0
  Li  Li13  1  0.71  0.85  0.42  1.0
  Li  Li14  1  0.86  0.85  0.56  1.0
  Li  Li15  1  0.87  0.87  0.38  1.0
  Ta  Ta16  1  0.0  0.63  0.37  1.0
  Ta  Ta17  1  0.0  0.81  0.19  1.0
  N  N18  1  0.0  0.66  0.34  1.0
  N  N19  1  0.0  0.77  0.23  1.0
  N  N20  1  0.12  0.7  0.12  1.0
  N  N21  1  0.16  0.7  0.07  1.0
  N  N22  1  0.28  0.74  0.85  1.0
  N  N23  1  0.72  0.7  0.71  1.0
  N  N24  1  0.84  0.74  0.49  1.0
  N  N25  1  0.88  0.74  0.44  1.0
  O  O26  1  0.0  0.0  0.0  1.0

Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Li Ta Ta N N N N N N N N O
Li16Ta2N8O is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li16Ta2N8O cluster. There are sixteen inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(4) and one N(8) atom. The Li(1)-Li(4) bond length is 0.85 Å. The Li(1)-N(8) bond length is 2.06 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(3) and one N(1) atom. The Li(2)-Li(3) bond length is 0.85 Å. The Li(2)-N(1) bond length is 2.06 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to one Li(2) and one N(7) atom. The Li(3)-N(7) bond length is 1.69 Å. In the fourth Li site, Li(4) is bonded in a single-bond geometry to one Li(1) and one O(1) atom. The Li(4)-O(1) bond length is 0.13 Å. In the fifth Li site, Li(5) is bonded in a distorted single-bond geometry to one N(2,3) atom. The Li(5)-N(2,3) bond length is 1.59 Å. In the sixth Li site, Li(6) is bonded in a bent 120 degrees geometry to one N(1) and one N(8) atom. The Li(6)-N(1) bond length is 1.53 Å. The Li(6)-N(8) bond length is 1.47 Å. In the seventh Li site, Li(7) is bonded in a single-bond geometry to one N(5) atom. The Li(7)-N(5) bond length is 0.80 Å. In the eighth Li site, Li(8) is bonded in a distorted single-bond geometry to one N(2,3) atom. The Li(8)-N(2,3) bond length is 1.59 Å. In the ninth Li site, Li(9) is bonded in a bent 120 degrees geometry to one N(1) and one N(8) atom. The Li(9)-N(1) bond length is 1.47 Å. The Li(9)-N(8) bond length is 1.53 Å. In the tenth Li site, Li(10) is bonded in a single-bond geometry to one N(6) atom. The Li(10)-N(6) bond length is 0.80 Å. In the eleventh Li site, Li(11) is bonded in a distorted single-bond geometry to one Li(15) atom. The Li(11)-Li(15) bond length is 1.54 Å. In the twelfth Li site, Li(12) is bonded in a 2-coordinate geometry to one Li(14), one N(6), and one N(7) atom. The Li(12)-Li(14) bond length is 1.54 Å. The Li(12)-N(6) bond length is 0.98 Å. The Li(12)-N(7) bond length is 1.06 Å. In the thirteenth Li site, Li(13) is bonded in a distorted single-bond geometry to one N(1) and one N(7) atom. The Li(13)-N(1) bond length is 1.63 Å. The Li(13)-N(7) bond length is 1.09 Å. In the fourteenth Li site, Li(14) is bonded in a distorted single-bond geometry to one Li(12) atom. In the fifteenth Li site, Li(15) is bonded in a 2-coordinate geometry to one Li(11), one N(4), and one N(5) atom. The Li(15)-N(4) bond length is 1.06 Å. The Li(15)-N(5) bond length is 0.98 Å. In the sixteenth Li site, Li(16) is bonded in a distorted single-bond geometry to one N(4) and one N(8) atom. The Li(16)-N(4) bond length is 1.09 Å. The Li(16)-N(8) bond length is 1.63 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one N(2,3) and one N(5) atom. The Ta(1)-N(2,3) bond length is 0.31 Å. The Ta(1)-N(5) bond length is 0.94 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one N(2,3) and one N(6) atom. The Ta(2)-N(2,3) bond length is 0.31 Å. The Ta(2)-N(6) bond length is 0.94 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Li(13), one Li(2), one Li(6), and one Li(9) atom. In the second N site, N(2,3) is bonded in a single-bond geometry to one Li(8) and one Ta(1) atom. In the third N site, N(4) is bonded in a 2-coordinate geometry to one Li(15), one Li(16), and one N(5) atom. The N(4)-N(5) bond length is 0.42 Å. In the fourth N site, N(5) is bonded in a 4-coordinate geometry to one Li(15), one Li(7), one Ta(1), and one N(4) atom. In the fifth N site, N(6) is bonded in a 4-coordinate geometry to one Li(10), one Li(12), one Ta(2), and one N(7) atom. The N(6)-N(7) bond length is 0.42 Å. In the sixth N site, N(7) is bonded in a 4-coordinate geometry to one Li(12), one Li(13), one Li(3), and one N(6) atom. In the seventh N site, N(8) is bonded in a 3-coordinate geometry to one Li(1), one Li(16), one Li(6), and one Li(9) atom. O(1) is bonded in a single-bond geometry to one Li(4) atom.