data_NaCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   18.66
_cell_angle_beta   18.66
_cell_angle_gamma   18.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCu2P
_chemical_formula_sum   'Na1 Cu2 P1'
_cell_volume   62.82
_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  0.0  0.0  0.17  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0
  P  P3  1  0.0  0.0  0.1  1.0

data_NaCu2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   100.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCu2P
_chemical_formula_sum   'Na2 Cu4 P2'
_cell_volume   125.64
_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  0.0  0.0  0.83  1.0
  Cu  Cu2  2  0.0  0.0  0.97  1.0
  P  P3  2  0.0  0.0  0.9  1.0

Na Cu Cu P
Na Cu Cu P 0 2 o o o 1 3 o o o 2 3 o o o 
NaCu2P is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaCu2P clusters. Na(1) is bonded in a single-bond geometry to one Cu(2) atom. The Na(1)-Cu(2) bond length is 0.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one P(1) atom. The Cu(1)-P(1) bond length is 0.61 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one Na(1) and one P(1) atom. The Cu(2)-P(1) bond length is 0.61 Å. P(1) is bonded in a linear geometry to one Cu(1) and one Cu(2) atom.