data_NaCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55
_cell_length_b   4.47
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Cu
_chemical_formula_sum   'Na1 Co2 Cu1'
_cell_volume   53.68
_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  0.0  0.23  0.35  1.0
  Co  Co1  1  0.28  0.0  0.35  1.0
  Cu  Cu2  1  0.28  0.23  0.0  1.0

data_NaCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.47
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Cu
_chemical_formula_sum   'Na1 Co2 Cu1'
_cell_volume   53.68
_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  -0.0  0.23  0.35  1.0
  Co  Co2  1  0.28  0.0  0.35  1.0
  Cu  Cu3  1  0.28  0.23  -0.0  1.0

Na Co Co Cu
NaCo2Cu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaCo2Cu cluster. Na(1) is bonded in a distorted single-bond geometry to one Co(2) and one Cu(1) atom. The Na(1)-Co(2) bond length is 1.80 Å. The Na(1)-Cu(1) bond length is 1.26 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 1-coordinate geometry to one Co(2) atom. The Co(1)-Co(2) bond length is 1.26 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Na(1) and one Co(1) atom. Cu(1) is bonded in a distorted single-bond geometry to one Na(1) atom.