# generated using pymatgen
data_CuAu2C4N4(Cl2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74370925
_cell_length_b   9.72650532
_cell_length_c   9.43695699
_cell_angle_alpha   88.44922469
_cell_angle_beta   81.82361478
_cell_angle_gamma   93.61775742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAu2C4N4(Cl2O3)2
_chemical_formula_sum   'Cu1 Au2 C4 N4 Cl4 O6'
_cell_volume   429.84725806
_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
  Cu  Cu0  1  0.50000000  0.00000000  0.50000000  1.0
  Au  Au1  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au2  1  0.00000000  0.50000000  0.00000000  1.0
  C  C3  1  0.21548600  0.02550200  0.80214300  1.0
  C  C4  1  0.78451400  0.97449800  0.19785700  1.0
  C  C5  1  0.14668300  0.63505900  0.13555400  1.0
  C  C6  1  0.85331700  0.36494100  0.86444600  1.0
  N  N7  1  0.33818800  0.02850100  0.68612600  1.0
  N  N8  1  0.66181200  0.97149900  0.31387400  1.0
  N  N9  1  0.21393500  0.70963600  0.22198600  1.0
  N  N10  1  0.78606500  0.29036400  0.77801400  1.0
  Cl  Cl11  1  0.70935700  0.82728600  0.91504300  1.0
  Cl  Cl12  1  0.29064300  0.17271400  0.08495700  1.0
  Cl  Cl13  1  0.71227900  0.39696100  0.19730400  1.0
  Cl  Cl14  1  0.28772100  0.60303900  0.80269600  1.0
  O  O15  1  0.88674700  0.84993600  0.57036200  1.0
  O  O16  1  0.11325300  0.15006400  0.42963800  1.0
  O  O17  1  0.11887100  0.84769400  0.49118500  1.0
  O  O18  1  0.88112900  0.15230600  0.50881500  1.0
  O  O19  1  0.62638500  0.50211000  0.47586300  1.0
  O  O20  1  0.37361500  0.49789000  0.52413700  1.0