data_K3(In7P10)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.52
_cell_length_b   9.52
_cell_length_c   9.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3(In7P10)2
_chemical_formula_sum   'K3 In14 P20'
_cell_volume   862.1
_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
  K  K14  1  0.0  0.76  0.76  1.0
  K  K15  1  0.76  0.0  0.76  1.0
  K  K16  1  0.76  0.76  0.0  1.0
  In  In0  1  0.76  0.76  0.76  1.0
  In  In1  1  0.76  0.01  0.01  1.0
  In  In2  1  0.76  0.51  0.01  1.0
  In  In3  1  0.76  0.01  0.51  1.0
  In  In4  1  0.76  0.51  0.51  1.0
  In  In5  1  0.01  0.76  0.01  1.0
  In  In6  1  0.01  0.76  0.51  1.0
  In  In7  1  0.51  0.76  0.01  1.0
  In  In8  1  0.51  0.76  0.51  1.0
  In  In9  1  0.01  0.01  0.76  1.0
  In  In10  1  0.51  0.01  0.76  1.0
  In  In11  1  0.01  0.51  0.76  1.0
  In  In12  1  0.51  0.51  0.76  1.0
  In  In13  1  0.0  0.0  0.0  1.0
  P  P17  1  0.0  0.63  0.63  1.0
  P  P18  1  0.0  0.88  0.63  1.0
  P  P19  1  0.0  0.63  0.88  1.0
  P  P20  1  0.0  0.88  0.88  1.0
  P  P21  1  0.63  0.0  0.63  1.0
  P  P22  1  0.63  0.0  0.88  1.0
  P  P23  1  0.88  0.0  0.63  1.0
  P  P24  1  0.88  0.0  0.88  1.0
  P  P25  1  0.63  0.63  0.0  1.0
  P  P26  1  0.88  0.63  0.0  1.0
  P  P27  1  0.63  0.88  0.0  1.0
  P  P28  1  0.88  0.88  0.0  1.0
  P  P29  1  0.68  0.68  0.68  1.0
  P  P30  1  0.84  0.84  0.68  1.0
  P  P31  1  0.84  0.68  0.84  1.0
  P  P32  1  0.68  0.84  0.84  1.0
  P  P33  1  0.68  0.68  0.84  1.0
  P  P34  1  0.84  0.84  0.84  1.0
  P  P35  1  0.68  0.84  0.68  1.0
  P  P36  1  0.84  0.68  0.68  1.0

data_K3(In7P10)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.46
_cell_length_b   13.46
_cell_length_c   16.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K3(In7P10)2
_chemical_formula_sum   'K9 In42 P60'
_cell_volume   2586.3
_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
  K  K0  9  0.16  0.08  0.84  1.0
  In  In1  18  0.0  0.25  0.76  1.0
  In  In2  9  0.08  0.17  0.93  1.0
  In  In3  9  0.17  0.08  0.59  1.0
  In  In4  3  0.0  0.0  0.0  1.0
  In  In5  3  0.0  0.0  0.76  1.0
  P  P6  18  0.04  0.2  0.84  1.0
  P  P7  9  0.05  0.11  0.79  1.0
  P  P8  9  0.08  0.04  0.92  1.0
  P  P9  9  0.11  0.05  0.73  1.0
  P  P10  9  0.21  0.42  0.42  1.0
  P  P11  3  0.0  0.0  0.68  1.0
  P  P12  3  0.0  0.0  0.84  1.0

K K K In In In In In In In In In In In In In In P P P P P P P P P P P P P P P P P P P P
K3(In7P10)2 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three K3(In7P10)2 clusters. K(1) is bonded to one P(1), one P(3), one P(6), one P(7), two equivalent P(2), and two equivalent P(5) atoms to form distorted edge-sharing KP8 hexagonal bipyramids. The K(1)-P(1) bond length is 1.67 Å. The K(1)-P(3) bond length is 1.67 Å. The K(1)-P(6) bond length is 1.88 Å. The K(1)-P(7) bond length is 1.88 Å. Both K(1)-P(2) bond lengths are 1.67 Å. Both K(1)-P(5) bond lengths are 1.88 Å. There are five inequivalent In sites. In the first In site, In(1) is bonded in a body-centered cubic geometry to one P(4), one P(7), three equivalent P(5), and three equivalent P(6) atoms. The In(1)-P(4) bond length is 1.32 Å. The In(1)-P(7) bond length is 1.32 Å. All In(1)-P(5) bond lengths are 1.32 Å. All In(1)-P(6) bond lengths are 1.32 Å. In the second In site, In(2) is bonded in a 4-coordinate geometry to two equivalent P(2) and two equivalent P(3) atoms. Both In(2)-P(2) bond lengths are 1.69 Å. Both In(2)-P(3) bond lengths are 1.69 Å. In the third In site, In(3) is bonded in an L-shaped geometry to one P(1) and one P(2) atom. The In(3)-P(1) bond length is 1.69 Å. The In(3)-P(2) bond length is 1.69 Å. In the fourth In site, In(4) is bonded in a 2-coordinate geometry to one P(4) and one P(6) atom. The In(4)-P(4) bond length is 2.42 Å. The In(4)-P(6) bond length is 2.42 Å. In the fifth In site, In(5) is bonded in a 3-coordinate geometry to three equivalent P(3) atoms. All In(5)-P(3) bond lengths are 1.57 Å. There are seven inequivalent P sites. In the first P site, P(5) is bonded in a distorted single-bond geometry to two equivalent K(1) and one In(1) atom. In the second P site, P(6) is bonded in a distorted single-bond geometry to one K(1), one In(1), one In(4), and one P(1) atom. The P(6)-P(1) bond length is 1.65 Å. In the third P site, P(7) is bonded in a distorted single-bond geometry to three equivalent K(1), one In(1), and three equivalent P(3) atoms. All P(7)-P(3) bond lengths are 1.65 Å. In the fourth P site, P(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent In(3), and one P(6) atom. In the fifth P site, P(2) is bonded in a 1-coordinate geometry to one K(1), one In(2), and one In(3) atom. In the sixth P site, P(3) is bonded in a 7-coordinate geometry to one K(1), one In(5), two equivalent In(2), one P(7), and two equivalent P(3) atoms. Both P(3)-P(3) bond lengths are 1.57 Å. In the seventh P site, P(4) is bonded in a single-bond geometry to one In(1) and three equivalent In(4) atoms.