data_NaCo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Ir
_chemical_formula_sum   'Na1 Co2 Ir1'
_cell_volume   54.68
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.47  0.76  0.32  1.0
  Co  Co1  1  0.47  0.24  0.32  1.0
  Ir  Ir2  1  0.94  0.0  0.0  1.0

data_NaCo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   100.32
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Ir
_chemical_formula_sum   'Na1 Co2 Ir1'
_cell_volume   54.68
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.32  0.47  0.24  1.0
  Co  Co2  1  0.32  0.47  0.76  1.0
  Ir  Ir3  1  0.0  0.94  0.0  1.0

Na Co Co Ir
NaIrCo2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a single-bond geometry to one Ir(1), one Co(2), and two equivalent Co(1) atoms. The Na(1)-Ir(1) bond length is 0.26 Å. The Na(1)-Co(2) bond length is 2.39 Å. There is one shorter (2.72 Å) and one longer (3.16 Å) Na(1)-Co(1) bond length. Ir(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Co(1) atoms. There is one shorter (2.39 Å) and one longer (2.88 Å) Ir(1)-Co(1) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Ir(1), two equivalent Co(1), and two equivalent Co(2) atoms. Both Co(1)-Co(1) bond lengths are 2.63 Å. There is one shorter (2.17 Å) and one longer (2.43 Å) Co(1)-Co(2) bond length. In the second Co site, Co(2) is bonded in a 1-coordinate geometry to one Na(1) and two equivalent Co(1) atoms.