data_KIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIrOs2
_chemical_formula_sum   'K1 Ir1 Os2'
_cell_volume   67.76
_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  K1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.51  0.51  0.0  1.0
  Os  Os2  1  0.0  0.51  0.35  1.0
  Os  Os3  1  0.51  0.0  0.35  1.0

data_KIrOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KIrOs2
_chemical_formula_sum   'K2 Ir2 Os4'
_cell_volume   135.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Os  Os1  4  0.25  0.25  0.35  1.0
  Ir  Ir2  2  0.01  0.5  0.0  1.0

K Ir Os Os
K Ir Os Os 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 o o + 1 2 o o - 1 2 o o o 1 2 + o - 1 2 + o o 1 3 o o - 1 3 o o o 1 3 o + - 1 3 o + o 1 1 o o + 2 2 o o + 3 3 o o + 
KOs2Ir crystallizes in the monoclinic Cm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent Os(1) atoms. There are two shorter (2.64 Å) and two longer (2.72 Å) K(1)-Os(1) bond lengths. Os(1) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Ir(1) atoms. There is one shorter (2.64 Å) and one longer (2.72 Å) Os(1)-Ir(1) bond length. Ir(1) is bonded in a 6-coordinate geometry to four equivalent Os(1) and two equivalent Ir(1) atoms. Both Ir(1)-Ir(1) bond lengths are 2.69 Å.