data_KGeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGeIr2
_chemical_formula_sum   'K1 Ge1 Ir2'
_cell_volume   71.34
_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  K3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.65  0.65  0.65  1.0
  Ir  Ir1  1  0.94  0.94  0.94  1.0
  Ir  Ir2  1  0.29  0.29  0.29  1.0

data_KGeIr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   11.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KGeIr2
_chemical_formula_sum   'K3 Ge3 Ir6'
_cell_volume   214.01
_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
  Ge  Ge1  3  0.0  0.0  0.35  1.0
  Ir  Ir2  3  0.0  0.0  0.06  1.0
  Ir  Ir3  3  0.0  0.0  0.71  1.0

K Ge Ir Ir
KIr2Ge crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to one Ir(1), four equivalent Ir(2), and three equivalent Ge(1) atoms. The K(1)-Ir(1) bond length is 0.71 Å. There are three shorter (2.73 Å) and one longer (3.33 Å) K(1)-Ir(2) bond length. All K(1)-Ge(1) bond lengths are 2.70 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one K(1) and four equivalent Ge(1) atoms. There are three shorter (2.73 Å) and one longer (3.33 Å) Ir(1)-Ge(1) bond length. In the second Ir site, Ir(2) is bonded to four equivalent K(1) and three equivalent Ge(1) atoms to form a mixture of distorted edge and corner-sharing IrK4Ge3 hexagonal pyramids. All Ir(2)-Ge(1) bond lengths are 2.70 Å. Ge(1) is bonded in a 10-coordinate geometry to three equivalent K(1), three equivalent Ir(2), and four equivalent Ir(1) atoms.