data_KRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe3
_chemical_formula_sum   'K2 Re6'
_cell_volume   138.62
_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
  K  K0  1  0.59  0.59  0.59  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.29  0.0  0.59  1.0
  Re  Re3  1  0.88  0.0  0.59  1.0
  Re  Re4  1  0.59  0.29  0.0  1.0
  Re  Re5  1  0.59  0.88  0.0  1.0
  Re  Re6  1  0.0  0.59  0.88  1.0
  Re  Re7  1  0.0  0.59  0.29  1.0

data_KRe3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   KRe3
_chemical_formula_sum   'K6 Re18'
_cell_volume   415.87
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  3  0.0  0.0  0.0  1.0
  K  K1  3  0.0  0.0  0.59  1.0
  Re  Re2  9  0.04  0.67  0.96  1.0
  Re  Re3  9  0.06  0.24  0.82  1.0

K K Re Re Re Re Re Re
KRe3 crystallizes in the trigonal R3 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. All K(1)-Re(1) bond lengths are 2.62 Å. All K(1)-Re(2) bond lengths are 2.62 Å. In the second K site, K(2) is bonded in a 3-coordinate geometry to three equivalent Re(1) and three equivalent Re(2) atoms. All K(2)-Re(1) bond lengths are 2.62 Å. All K(2)-Re(2) bond lengths are 2.22 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one Re(2) atom. The Re(1)-Re(2) bond length is 2.13 Å. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to one K(1), one K(2), and one Re(1) atom.