data_LiP3(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.64
_cell_length_c   9.12
_cell_angle_alpha   90.41
_cell_angle_beta   118.22
_cell_angle_gamma   119.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiP3(WO6)2
_chemical_formula_sum   'Li2 P6 W4 O24'
_cell_volume   497.71
_cell_formula_units_Z   2
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  0.08  0.7  0.44  1.0
  Li  Li1  1  0.03  0.36  0.2  1.0
  P  P2  1  0.68  0.46  0.94  1.0
  P  P3  1  0.77  0.74  0.74  1.0
  P  P4  1  0.1  0.35  0.71  1.0
  P  P5  1  0.0  0.72  0.93  1.0
  P  P6  1  0.33  0.33  0.9  1.0
  P  P7  1  0.43  0.61  0.7  1.0
  W  W8  1  0.28  0.75  0.11  1.0
  W  W9  1  0.26  0.79  0.35  1.0
  W  W10  1  0.84  0.27  0.29  1.0
  W  W11  1  0.83  0.31  0.53  1.0
  O  O12  1  0.62  0.78  0.7  1.0
  O  O13  1  0.37  0.03  0.28  1.0
  O  O14  1  0.8  0.68  0.74  1.0
  O  O15  1  0.03  0.97  0.86  1.0
  O  O16  1  0.58  0.76  0.94  1.0
  O  O17  1  0.41  0.76  0.15  1.0
  O  O18  1  0.78  0.28  0.07  1.0
  O  O19  1  0.27  0.86  0.92  1.0
  O  O20  1  0.02  0.84  0.58  1.0
  O  O21  1  0.25  0.34  0.43  1.0
  O  O22  1  0.5  0.76  1.0  1.0
  O  O23  1  0.25  0.55  0.3  1.0
  O  O24  1  0.85  0.51  0.34  1.0
  O  O25  1  0.61  0.3  0.64  1.0
  O  O26  1  0.86  0.72  0.21  1.0
  O  O27  1  0.08  0.23  0.06  1.0
  O  O28  1  0.84  0.21  0.72  1.0
  O  O29  1  0.33  0.78  0.57  1.0
  O  O30  1  0.7  0.3  0.49  1.0
  O  O31  1  0.53  0.31  0.7  1.0
  O  O32  1  0.08  0.09  0.78  1.0
  O  O33  1  0.3  0.38  0.9  1.0
  O  O34  1  0.73  0.03  0.36  1.0
  O  O35  1  0.49  0.28  0.94  1.0

data_LiP3(WO6)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.63
_cell_length_b   8.64
_cell_length_c   9.12
_cell_angle_alpha   90.41
_cell_angle_beta   118.22
_cell_angle_gamma   119.18
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiP3(WO6)2
_chemical_formula_sum   'Li2 P6 W4 O24'
_cell_volume   497.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.67  0.12  1.0
  P  P1  2  0.05  0.32  0.39  1.0
  P  P2  2  0.28  0.3  0.58  1.0
  P  P3  2  0.37  0.58  0.38  1.0
  W  W4  2  0.21  0.76  0.03  1.0
  W  W5  2  0.22  0.72  0.79  1.0
  O  O6  2  0.02  0.06  0.46  1.0
  O  O7  2  0.03  0.19  0.74  1.0
  O  O8  2  0.19  0.31  0.11  1.0
  O  O9  2  0.2  0.52  0.98  1.0
  O  O10  2  0.21  0.83  0.6  1.0
  O  O11  2  0.25  0.35  0.58  1.0
  O  O12  2  0.28  0.75  0.25  1.0
  O  O13  2  0.32  1.0  0.96  1.0
  O  O14  2  0.35  0.73  0.83  1.0
  O  O15  2  0.43  0.25  0.62  1.0
  O  O16  2  0.44  0.73  0.68  1.0
  O  O17  2  0.47  0.27  0.38  1.0

Li Li P P P P P P W W W W O O O O O O O O O O O O O O O O O O O O O O O O
Li Li P P P P P P W W W W O O O O O O O O O O O O O O O O O O O O O O O O 0 24 - o o 0 29 o o o 0 9 o o o 0 20 o o o 0 26 - o o 1 18 - o o 1 23 o o o 1 10 - o o 1 21 o o o 1 27 o o o 2 31 o o o 2 35 o o o 2 26 o o + 3 14 o o o 3 5 + o o 3 12 o o o 4 11 - o o 4 28 - o o 4 6 o o o 4 33 o o o 5 14 - o o 5 19 o o o 5 8 o o + 6 33 o o o 6 35 o o o 7 12 o o o 7 16 o o o 7 21 o o o 8 17 o o o 8 9 o o o 8 13 o + o 8 19 o o - 9 13 o + o 9 23 o o o 9 29 o o o 10 18 o o o 10 24 o o o 10 11 o o o 10 34 o o o 11 30 o o o 11 28 o o o 11 34 o o o 13 30 o o o 14 20 + o o 15 32 o + o 15 20 o o o 15 27 o + + 16 22 o o o 17 19 o o - 17 34 o + o 19 22 o o o 19 20 o o o 20 32 o + o 20 24 - o o 21 23 o o o 23 27 o o o 24 26 o o o 25 31 o o o 25 28 o o o 27 28 - o - 27 32 o o - 27 33 o o - 28 30 o o o 
LiP3(WO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one W(2), one O(10), one O(12), one O(7), and one O(9) atom. The Li(1)-W(2) bond length is 1.97 Å. The Li(1)-O(10) bond length is 2.15 Å. The Li(1)-O(12) bond length is 1.56 Å. The Li(1)-O(7) bond length is 1.63 Å. The Li(1)-O(9) bond length is 2.06 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one P(3), one O(2), one O(6), and one O(8) atom. The W(1)-P(3) bond length is 2.02 Å. The W(1)-O(2) bond length is 2.40 Å. The W(1)-O(6) bond length is 0.98 Å. The W(1)-O(8) bond length is 1.95 Å. In the second W site, W(2) is bonded in a 4-coordinate geometry to one Li(1), one O(12), one O(2), and one O(7) atom. The W(2)-O(12) bond length is 2.12 Å. The W(2)-O(2) bond length is 2.03 Å. The W(2)-O(7) bond length is 1.83 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(7) atom. The P(1)-O(1) bond length is 1.64 Å. The P(1)-O(5) bond length is 1.93 Å. The P(1)-O(7) bond length is 2.19 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The P(2)-O(1) bond length is 1.45 Å. The P(2)-O(3) bond length is 0.61 Å. The P(2)-O(4) bond length is 1.86 Å. In the third P site, P(3) is bonded in a 4-coordinate geometry to one W(1), one O(3), one O(4), and one O(8) atom. The P(3)-O(3) bond length is 1.63 Å. The P(3)-O(4) bond length is 2.21 Å. The P(3)-O(8) bond length is 2.01 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one P(2), one P(3), and one O(4) atom. The O(4)-O(4) bond length is 1.30 Å. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one O(11) atom. The O(5)-O(11) bond length is 1.07 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one W(1) and one O(11) atom. The O(6)-O(11) bond length is 1.84 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one W(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one W(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Li(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Li(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one O(5) and one O(6) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Li(1) and one W(2) atom.