data_PC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   14.82
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PC3
_chemical_formula_sum   'P6 C18'
_cell_volume   291.96
_cell_formula_units_Z   6
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  P18  1  0.35  0.0  0.5  1.0
  P  P19  1  0.35  0.68  0.17  1.0
  P  P20  1  0.35  0.14  0.17  1.0
  P  P21  1  0.0  0.41  0.8  1.0
  P  P22  1  0.0  0.09  0.13  1.0
  P  P23  1  0.0  0.73  0.13  1.0
  C  C0  1  0.04  0.25  0.07  1.0
  C  C1  1  0.04  0.56  0.07  1.0
  C  C2  1  0.03  0.0  0.95  1.0
  C  C3  1  0.01  0.41  0.35  1.0
  C  C4  1  0.01  0.66  0.23  1.0
  C  C5  1  0.01  0.15  0.23  1.0
  C  C6  1  0.35  0.41  0.71  1.0
  C  C7  1  0.35  0.19  0.4  1.0
  C  C8  1  0.35  0.63  0.4  1.0
  C  C9  1  0.66  0.25  0.07  1.0
  C  C10  1  0.66  0.56  0.07  1.0
  C  C11  1  0.67  0.0  0.95  1.0
  C  C12  1  0.68  0.41  0.35  1.0
  C  C13  1  0.69  0.66  0.23  1.0
  C  C14  1  0.69  0.15  0.23  1.0
  C  C15  1  0.0  0.0  0.59  1.0
  C  C16  1  0.0  0.78  0.9  1.0
  C  C17  1  0.0  0.04  0.9  1.0

data_PC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   7.3
_cell_length_c   14.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PC3
_chemical_formula_sum   'P6 C18'
_cell_volume   291.96
_cell_formula_units_Z   6
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  P0  1  -0.0  0.87  0.91  1.0
  P  P1  1  -0.0  0.87  0.27  1.0
  P  P2  1  -0.0  0.2  0.59  1.0
  P  P3  1  0.65  0.5  0.0  1.0
  P  P4  1  0.65  0.83  0.32  1.0
  P  P5  1  0.65  0.83  0.86  1.0
  C  C6  1  -0.0  0.1  0.96  1.0
  C  C7  1  -0.0  0.1  0.22  1.0
  C  C8  1  0.0  0.41  0.0  1.0
  C  C9  1  0.31  0.77  0.34  1.0
  C  C10  1  0.31  0.77  0.85  1.0
  C  C11  1  0.32  0.65  0.59  1.0
  C  C12  1  0.33  0.05  0.0  1.0
  C  C13  1  0.34  0.93  0.44  1.0
  C  C14  1  0.34  0.93  0.75  1.0
  C  C15  1  0.65  0.29  0.59  1.0
  C  C16  1  0.65  0.6  0.37  1.0
  C  C17  1  0.65  0.6  0.81  1.0
  C  C18  1  0.96  0.93  0.44  1.0
  C  C19  1  0.96  0.93  0.75  1.0
  C  C20  1  0.97  0.05  0.0  1.0
  C  C21  1  0.99  0.65  0.59  1.0
  C  C22  1  0.99  0.77  0.34  1.0
  C  C23  1  0.99  0.77  0.85  1.0

P P P P P P C C C C C C C C C C C C C C C C C C