# generated using pymatgen
data_CuC3N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95072100
_cell_length_b   7.11348608
_cell_length_c   8.65397866
_cell_angle_alpha   105.43300671
_cell_angle_beta   90.64948244
_cell_angle_gamma   112.19062951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC3N2O5
_chemical_formula_sum   'Cu2 C6 N4 O10'
_cell_volume   378.89750483
_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  0.88886000  0.81893600  0.83996600  1.0
  Cu  Cu1  1  0.11114000  0.18106400  0.16003400  1.0
  C  C2  1  0.21675000  0.19116400  0.84011800  1.0
  C  C3  1  0.78325000  0.80883600  0.15988200  1.0
  C  C4  1  0.78928300  0.16961100  0.99521900  1.0
  C  C5  1  0.21071700  0.83038900  0.00478100  1.0
  C  C6  1  0.71707600  0.41701900  0.58340300  1.0
  C  C7  1  0.28292400  0.58298100  0.41659700  1.0
  N  N8  1  0.82012700  0.28671900  0.56580900  1.0
  N  N9  1  0.17987300  0.71328100  0.43419100  1.0
  N  N10  1  0.63805200  0.23794100  0.45874400  1.0
  N  N11  1  0.36194800  0.76205900  0.54125600  1.0
  O  O12  1  0.13484000  0.05394800  0.71974700  1.0
  O  O13  1  0.86516000  0.94605200  0.28025300  1.0
  O  O14  1  0.68664300  0.03810200  0.87588500  1.0
  O  O15  1  0.31335700  0.96189800  0.12411500  1.0
  O  O16  1  0.69447200  0.66582900  0.04384400  1.0
  O  O17  1  0.30552800  0.33417100  0.95615600  1.0
  O  O18  1  0.14049500  0.67826500  0.88992800  1.0
  O  O19  1  0.85950500  0.32173500  0.11007200  1.0
  O  O20  1  0.69938300  0.58239700  0.65865000  1.0
  O  O21  1  0.30061700  0.41760300  0.34135000  1.0