data_PC4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   3.81
_cell_angle_alpha   125.39
_cell_angle_beta   125.39
_cell_angle_gamma   80.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PC4
_chemical_formula_sum   'P1 C4'
_cell_volume   35.46
_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
  P  P4  1  0.0  0.0  0.0  1.0
  C  C0  1  0.75  0.0  0.45  1.0
  C  C1  1  0.0  0.75  0.45  1.0
  C  C2  1  0.0  0.0  0.68  1.0
  C  C3  1  0.0  0.0  0.12  1.0

data_PC4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   130.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PC4
_chemical_formula_sum   'P2 C8'
_cell_volume   70.92
_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
  P  P0  2  0.0  0.0  0.0  1.0
  C  C1  4  0.13  0.13  0.7  1.0
  C  C2  2  0.0  0.0  0.12  1.0
  C  C3  2  0.0  0.0  0.68  1.0

P C C C C
P C C C C 0 4 o o o 1 3 + o o 2 3 o + o 
PC4 is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PC4 clusters. There are three inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one C(2) atom. The C(1)-C(2) bond length is 0.84 Å. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to two equivalent C(1) and one P(1) atom. The C(2)-P(1) bond length is 1.23 Å. In the third C site, C(3) is bonded in a single-bond geometry to one P(1) atom. The C(3)-P(1) bond length is 0.47 Å. P(1) is bonded in a distorted linear geometry to one C(2) and one C(3) atom.