# generated using pymatgen
data_PbC6S6N12(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77557214
_cell_length_b   11.77722621
_cell_length_c   6.10379319
_cell_angle_alpha   102.82653495
_cell_angle_beta   100.82821637
_cell_angle_gamma   108.94070021
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbC6S6N12(ClO4)2
_chemical_formula_sum   'Pb1 C6 S6 N12 Cl2 O8'
_cell_volume   749.03632153
_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
  Pb  Pb0  1  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.64019100  0.08781700  0.04797700  1.0
  C  C2  1  0.35980900  0.91218300  0.95202300  1.0
  C  C3  1  0.72781500  0.74240900  0.59505100  1.0
  C  C4  1  0.27218500  0.25759100  0.40494900  1.0
  C  C5  1  0.05605600  0.68911500  0.81493600  1.0
  C  C6  1  0.94394400  0.31088500  0.18506400  1.0
  S  S7  1  0.73994200  0.91789600  0.03246800  1.0
  S  S8  1  0.26005800  0.08210400  0.96753200  1.0
  S  S9  1  0.89749400  0.88749300  0.46419400  1.0
  S  S10  1  0.10250600  0.11250700  0.53580600  1.0
  S  S11  1  0.00254000  0.74262400  0.01899000  1.0
  S  S12  1  0.99746000  0.25737600  0.98101000  1.0
  N  N13  1  0.57755800  0.14479700  0.09677900  1.0
  N  N14  1  0.42244200  0.85520300  0.90322100  1.0
  N  N15  1  0.72233000  0.04046500  0.00277900  1.0
  N  N16  1  0.27767000  0.95953500  0.99722100  1.0
  N  N17  1  0.77127800  0.76442400  0.42456400  1.0
  N  N18  1  0.22872200  0.23557600  0.57543600  1.0
  N  N19  1  0.68258000  0.72270300  0.74963900  1.0
  N  N20  1  0.31742000  0.27729700  0.25036100  1.0
  N  N21  1  0.08681800  0.59465100  0.69021000  1.0
  N  N22  1  0.91318200  0.40534900  0.30979000  1.0
  N  N23  1  0.10545400  0.69538900  0.62544100  1.0
  N  N24  1  0.89454600  0.30461100  0.37455900  1.0
  Cl  Cl25  1  0.64581800  0.38900700  0.76682100  1.0
  Cl  Cl26  1  0.35418200  0.61099300  0.23317900  1.0
  O  O27  1  0.58256300  0.43606500  0.59940400  1.0
  O  O28  1  0.41743700  0.56393500  0.40059600  1.0
  O  O29  1  0.60507900  0.25233600  0.66321100  1.0
  O  O30  1  0.39492100  0.74766400  0.33678900  1.0
  O  O31  1  0.78110000  0.44935700  0.81733700  1.0
  O  O32  1  0.21890000  0.55064300  0.18266300  1.0
  O  O33  1  0.60709500  0.41336600  0.98039800  1.0
  O  O34  1  0.39290500  0.58663400  0.01960200  1.0