data_K2ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReOs
_chemical_formula_sum   'K2 Re1 Os1'
_cell_volume   81.56
_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  0.16  0.16  0.16  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.44  0.44  0.44  1.0
  Os  Os2  1  0.72  0.72  0.72  1.0

data_K2ReOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K2ReOs
_chemical_formula_sum   'K6 Re3 Os3'
_cell_volume   244.67
_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  3  0.0  0.0  0.0  1.0
  K  K1  3  0.0  0.0  0.84  1.0
  Re  Re2  3  0.0  0.0  0.56  1.0
  Os  Os3  3  0.0  0.0  0.28  1.0

K K Re Os
K K Re Os 0 1 o o o 0 2 o o o 0 2 o o - 0 2 o - o 0 2 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 o o - 1 2 o - o 1 2 - o o 1 3 o - - 1 3 - o - 1 3 - - o 1 3 - - - 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
K2ReOs crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one K(2), four equivalent Re(1), and three equivalent Os(1) atoms. The K(1)-K(2) bond length is 1.94 Å. There are three shorter (2.88 Å) and one longer (3.33 Å) K(1)-Re(1) bond length. All K(1)-Os(1) bond lengths are 3.09 Å. In the second K site, K(2) is bonded in a 8-coordinate geometry to one K(1), three equivalent Re(1), and four equivalent Os(1) atoms. All K(2)-Re(1) bond lengths are 3.09 Å. There are three shorter (2.88 Å) and one longer (3.33 Å) K(2)-Os(1) bond length. Re(1) is bonded in a 11-coordinate geometry to three equivalent K(2), four equivalent K(1), and four equivalent Os(1) atoms. There are three shorter (2.88 Å) and one longer (3.33 Å) Re(1)-Os(1) bond length. Os(1) is bonded in a 11-coordinate geometry to three equivalent K(1), four equivalent K(2), and four equivalent Re(1) atoms.