data_K4BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4BIr
_chemical_formula_sum   'K4 B1 Ir1'
_cell_volume   180.62
_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  K2  1  0.37  0.37  0.61  1.0
  K  K3  1  0.37  0.61  0.37  1.0
  K  K4  1  0.61  0.37  0.37  1.0
  K  K5  1  0.61  0.61  0.61  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.24  0.24  0.24  1.0

data_K4BIr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   15.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   K4BIr
_chemical_formula_sum   'K12 B3 Ir3'
_cell_volume   541.85
_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  9  0.08  0.16  0.55  1.0
  K  K1  3  0.0  0.0  0.39  1.0
  B  B2  3  0.0  0.0  0.0  1.0
  Ir  Ir3  3  0.0  0.0  0.76  1.0

K K K K B Ir
K4IrB crystallizes in the trigonal R3m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one K(2), two equivalent K(1), two equivalent Ir(1), and one B(1) atom. The K(1)-K(2) bond length is 2.63 Å. Both K(1)-K(1) bond lengths are 1.52 Å. There is one shorter (3.28 Å) and one longer (3.44 Å) K(1)-Ir(1) bond length. The K(1)-B(1) bond length is 3.30 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Ir(1) atoms. All K(2)-Ir(1) bond lengths are 3.69 Å. Ir(1) is bonded in a 9-coordinate geometry to three equivalent K(2) and six equivalent K(1) atoms. B(1) is bonded in a distorted T-shaped geometry to three equivalent K(1) atoms.