# generated using pymatgen
data_CuC4(NO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07067500
_cell_length_b   8.76335466
_cell_length_c   10.60492291
_cell_angle_alpha   113.84522269
_cell_angle_beta   101.89071596
_cell_angle_gamma   93.75176372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC4(NO5)2
_chemical_formula_sum   'Cu2 C8 N4 O20'
_cell_volume   579.94680058
_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  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.50000000  0.50000000  1.0
  C  C2  1  0.38286400  0.87349100  0.15029800  1.0
  C  C3  1  0.61713600  0.12650900  0.84970200  1.0
  C  C4  1  0.27048000  0.75236700  0.04815300  1.0
  C  C5  1  0.72952000  0.24763300  0.95184700  1.0
  C  C6  1  0.47006900  0.29610300  0.36702700  1.0
  C  C7  1  0.52993100  0.70389700  0.63297300  1.0
  C  C8  1  0.25445500  0.36202700  0.34417400  1.0
  C  C9  1  0.74554500  0.63797300  0.65582600  1.0
  N  N10  1  0.95073600  0.93691900  0.30306000  1.0
  N  N11  1  0.04926400  0.06308100  0.69694000  1.0
  N  N12  1  0.78320000  0.54526100  0.06523800  1.0
  N  N13  1  0.21680000  0.45473900  0.93476200  1.0
  O  O14  1  0.53471900  0.81127000  0.23842300  1.0
  O  O15  1  0.46528100  0.18873000  0.76157700  1.0
  O  O16  1  0.94109200  0.84374500  0.24404700  1.0
  O  O17  1  0.05890800  0.15625500  0.75595300  1.0
  O  O18  1  0.27386400  0.00298100  0.10560600  1.0
  O  O19  1  0.72613600  0.99701900  0.89439400  1.0
  O  O20  1  0.38083300  0.65016300  0.05158700  1.0
  O  O21  1  0.61916700  0.34983700  0.94841300  1.0
  O  O22  1  0.90729600  0.19963300  0.00764600  1.0
  O  O23  1  0.09270400  0.80036700  0.99235400  1.0
  O  O24  1  0.60156800  0.35601800  0.44388700  1.0
  O  O25  1  0.39843200  0.64398200  0.55611300  1.0
  O  O26  1  0.25435000  0.47015400  0.39948900  1.0
  O  O27  1  0.74565000  0.52984600  0.60051100  1.0
  O  O28  1  0.10963200  0.31572400  0.28115100  1.0
  O  O29  1  0.89036800  0.68427600  0.71884900  1.0
  O  O30  1  0.50347300  0.20140700  0.31760100  1.0
  O  O31  1  0.49652700  0.79859300  0.68239900  1.0
  O  O32  1  0.87895500  0.94465200  0.39018000  1.0
  O  O33  1  0.12104500  0.05534800  0.60982000  1.0