data_NaCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2Os
_chemical_formula_sum   'Na1 Cu2 Os1'
_cell_volume   60.58
_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  Na2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.32  0.32  0.28  1.0
  Cu  Cu1  1  0.32  0.32  0.48  1.0
  Os  Os3  1  0.0  0.0  0.38  1.0

data_NaCu2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCu2Os
_chemical_formula_sum   'Na2 Cu4 Os2'
_cell_volume   121.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.32  0.0  0.28  1.0
  Cu  Cu2  2  0.32  0.0  0.48  1.0
  Os  Os3  2  0.0  0.0  0.38  1.0

Na Cu Cu Os
Na Cu Cu Os 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 1 3 o o o 1 2 o o o 2 3 o o o 
NaOsCu2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaOsCu2 clusters. Na(1) is bonded in a distorted single-bond geometry to one Cu(1) atom. The Na(1)-Cu(1) bond length is 2.69 Å. Os(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. The Os(1)-Cu(1) bond length is 1.46 Å. The Os(1)-Cu(2) bond length is 1.46 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Na(1) and one Os(1) atom. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Os(1) atom.