# generated using pymatgen
data_PbCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86141608
_cell_length_b   5.54373710
_cell_length_c   12.01411331
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbCN2
_chemical_formula_sum   'Pb4 C4 N8'
_cell_volume   257.18222602
_cell_formula_units_Z   4
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
  Pb  Pb0  1  0.25000000  0.38654034  0.63418703  1.0
  Pb  Pb1  1  0.75000000  0.61345966  0.36581297  1.0
  Pb  Pb2  1  0.25000000  0.88654034  0.86581297  1.0
  Pb  Pb3  1  0.75000000  0.11345966  0.13418703  1.0
  C  C4  1  0.25000000  0.11863247  0.40054484  1.0
  C  C5  1  0.75000000  0.88136753  0.59945516  1.0
  C  C6  1  0.25000000  0.61863247  0.09945516  1.0
  C  C7  1  0.75000000  0.38136753  0.90054484  1.0
  N  N8  1  0.75000000  0.17376675  0.93987265  1.0
  N  N9  1  0.25000000  0.82623325  0.06012735  1.0
  N  N10  1  0.75000000  0.67376675  0.56012735  1.0
  N  N11  1  0.25000000  0.32623325  0.43987265  1.0
  N  N12  1  0.75000000  0.58021774  0.85734314  1.0
  N  N13  1  0.25000000  0.41978226  0.14265686  1.0
  N  N14  1  0.75000000  0.08021774  0.64265686  1.0
  N  N15  1  0.25000000  0.91978226  0.35734314  1.0