data_KSrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrOs2
_chemical_formula_sum   'K1 Sr1 Os2'
_cell_volume   84.67
_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  0.0  0.0  1.0
  Sr  Sr3  1  0.23  0.23  0.23  1.0
  Os  Os1  1  0.49  0.49  0.49  1.0
  Os  Os2  1  0.74  0.74  0.74  1.0

data_KSrOs2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KSrOs2
_chemical_formula_sum   'K3 Sr3 Os6'
_cell_volume   254.02
_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
  Sr  Sr1  3  0.0  0.0  0.77  1.0
  Os  Os2  3  0.0  0.0  0.26  1.0
  Os  Os3  3  0.0  0.0  0.51  1.0

K Sr Os Os
K Sr Os Os 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 3 - - - 0 3 - - o 0 3 - o - 0 3 o - - 1 3 - - o 1 3 - o - 1 3 - o o 1 3 o - - 1 3 o - o 1 3 o o - 1 2 - o o 1 2 o - o 1 2 o o - 1 2 o o o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
KSrOs2 crystallizes in the trigonal R3m space group. K(1) is bonded in a 14-coordinate geometry to four equivalent Sr(1), four equivalent Os(2), and six equivalent Os(1) atoms. There is one shorter (2.75 Å) and three longer (3.12 Å) K(1)-Sr(1) bond lengths. There are three shorter (2.99 Å) and one longer (3.11 Å) K(1)-Os(2) bond length. There are three shorter (3.39 Å) and three longer (3.59 Å) K(1)-Os(1) bond lengths. Sr(1) is bonded in a 14-coordinate geometry to four equivalent K(1), four equivalent Os(1), and six equivalent Os(2) atoms. There are three shorter (2.99 Å) and one longer (3.11 Å) Sr(1)-Os(1) bond length. There are three shorter (3.39 Å) and three longer (3.59 Å) Sr(1)-Os(2) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded to six equivalent K(1) and four equivalent Sr(1) atoms to form distorted OsK6Sr4 tetrahedra that share corners with six equivalent Os(1)K6Sr4 tetrahedra, edges with twelve equivalent Os(2)K4Sr6 tetrahedra, faces with four equivalent Os(2)K4Sr6 tetrahedra, and faces with twelve equivalent Os(1)K6Sr4 tetrahedra. In the second Os site, Os(2) is bonded to four equivalent K(1) and six equivalent Sr(1) atoms to form distorted OsK4Sr6 tetrahedra that share corners with six equivalent Os(2)K4Sr6 tetrahedra, edges with twelve equivalent Os(1)K6Sr4 tetrahedra, faces with four equivalent Os(1)K6Sr4 tetrahedra, and faces with twelve equivalent Os(2)K4Sr6 tetrahedra.