# generated using pymatgen
data_CuN6(ClO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11536200
_cell_length_b   9.11536200
_cell_length_c   8.18942600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuN6(ClO4)3
_chemical_formula_sum   'Cu2 N12 Cl6 O24'
_cell_volume   680.45796820
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.35708200  0.65246300  0.00518400  1.0
  N  N3  1  0.14291800  0.15246300  0.99481600  1.0
  N  N4  1  0.64291800  0.34753700  0.00518400  1.0
  N  N5  1  0.85708200  0.84753700  0.99481600  1.0
  N  N6  1  0.65246300  0.64291800  0.99481600  1.0
  N  N7  1  0.84753700  0.14291800  0.00518400  1.0
  N  N8  1  0.34753700  0.35708200  0.99481600  1.0
  N  N9  1  0.15246300  0.85708200  0.00518400  1.0
  N  N10  1  0.50000000  0.50000000  0.50000000  1.0
  N  N11  1  0.00000000  0.00000000  0.50000000  1.0
  N  N12  1  0.00000000  0.50000000  0.59779000  1.0
  N  N13  1  0.50000000  0.00000000  0.40221000  1.0
  Cl  Cl14  1  0.00000000  0.50000000  0.06843800  1.0
  Cl  Cl15  1  0.50000000  0.00000000  0.93156200  1.0
  Cl  Cl16  1  0.25658000  0.75658000  0.52755200  1.0
  Cl  Cl17  1  0.24342000  0.25658000  0.47244800  1.0
  Cl  Cl18  1  0.74342000  0.24342000  0.52755200  1.0
  Cl  Cl19  1  0.75658000  0.74342000  0.47244800  1.0
  O  O20  1  0.09239500  0.59239500  0.16658900  1.0
  O  O21  1  0.40760500  0.09239500  0.83341100  1.0
  O  O22  1  0.90760500  0.40760500  0.16658900  1.0
  O  O23  1  0.59239500  0.90760500  0.83341100  1.0
  O  O24  1  0.91076400  0.58923600  0.95222200  1.0
  O  O25  1  0.58923600  0.08923600  0.04777800  1.0
  O  O26  1  0.08923600  0.41076400  0.95222200  1.0
  O  O27  1  0.41076400  0.91076400  0.04777800  1.0
  O  O28  1  0.27563300  0.59308300  0.52675300  1.0
  O  O29  1  0.22436700  0.09308300  0.47324700  1.0
  O  O30  1  0.72436700  0.40691700  0.52675300  1.0
  O  O31  1  0.77563300  0.90691700  0.47324700  1.0
  O  O32  1  0.59308300  0.72436700  0.47324700  1.0
  O  O33  1  0.90691700  0.22436700  0.52675300  1.0
  O  O34  1  0.40691700  0.27563300  0.47324700  1.0
  O  O35  1  0.09308300  0.77563300  0.52675300  1.0
  O  O36  1  0.31757100  0.81757100  0.67275700  1.0
  O  O37  1  0.18242900  0.31757100  0.32724300  1.0
  O  O38  1  0.68242900  0.18242900  0.67275700  1.0
  O  O39  1  0.81757100  0.68242900  0.32724300  1.0
  O  O40  1  0.31634300  0.81634300  0.37810900  1.0
  O  O41  1  0.18365700  0.31634300  0.62189100  1.0
  O  O42  1  0.68365700  0.18365700  0.37810900  1.0
  O  O43  1  0.81634300  0.68365700  0.62189100  1.0