data_KMgIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgIr2
_chemical_formula_sum   'K1 Mg1 Ir2'
_cell_volume   73.14
_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  0.93  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.46  0.33  0.34  1.0
  Ir  Ir1  1  0.46  0.67  0.34  1.0

data_KMgIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   115.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgIr2
_chemical_formula_sum   'K1 Mg1 Ir2'
_cell_volume   73.14
_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  0.93  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.34  0.46  0.67  1.0
  Ir  Ir3  1  0.34  0.46  0.33  1.0

K Mg Ir Ir
KMgIr2 crystallizes in the triclinic P1 space group. K(1) is bonded in a single-bond geometry to one Mg(1), one Ir(1), and one Ir(2) atom. The K(1)-Mg(1) bond length is 0.39 Å. The K(1)-Ir(1) bond length is 3.82 Å. The K(1)-Ir(2) bond length is 2.57 Å. Mg(1) is bonded in a single-bond geometry to one K(1) and two equivalent Ir(1) atoms. There is one shorter (2.57 Å) and one longer (2.99 Å) Mg(1)-Ir(1) bond length. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 6-coordinate geometry to one K(1), two equivalent Mg(1), one Ir(2), and two equivalent Ir(1) atoms. The Ir(1)-Ir(2) bond length is 1.90 Å. Both Ir(1)-Ir(1) bond lengths are 2.68 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one K(1) and one Ir(1) atom.