data_K7Li
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K7Li
_chemical_formula_sum   'K7 Li1'
_cell_volume   530.32
_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  K0  1  0.0  0.21  0.21  1.0
  K  K1  1  0.21  0.42  0.21  1.0
  K  K2  1  0.21  0.21  0.42  1.0
  K  K3  1  0.42  0.21  0.21  1.0
  K  K4  1  0.21  0.0  0.21  1.0
  K  K5  1  0.21  0.21  0.0  1.0
  K  K6  1  0.42  0.42  0.42  1.0
  Li  Li7  1  0.0  0.0  0.0  1.0

data_K7Li
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   22.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K7Li
_chemical_formula_sum   'K21 Li3'
_cell_volume   1590.97
_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  0.07  0.14  0.72  1.0
  K  K1  9  0.14  0.07  0.86  1.0
  K  K2  3  0.0  0.0  0.58  1.0
  Li  Li3  3  0.0  0.0  0.0  1.0

K K K K K K K Li
K7Li crystallizes in the trigonal R3m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), and one Li(1) atom. The K(1)-K(3) bond length is 4.28 Å. Both K(1)-K(1) bond lengths are 1.93 Å. Both K(1)-K(2) bond lengths are 3.34 Å. The K(1)-Li(1) bond length is 3.34 Å. In the second K site, K(2) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(1), and two equivalent K(2) atoms. The K(2)-K(3) bond length is 3.34 Å. Both K(2)-K(2) bond lengths are 1.93 Å. In the third K site, K(3) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent K(2) atoms. Li(1) is bonded in a 3-coordinate geometry to three equivalent K(1) atoms.