# generated using pymatgen
data_Cu2NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27669668
_cell_length_b   5.79310700
_cell_length_c   7.30665250
_cell_angle_alpha   90.00000000
_cell_angle_beta   95.77346756
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NO6
_chemical_formula_sum   'Cu4 N2 O12'
_cell_volume   222.22019543
_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  0.49987500  0.29884400  0.00205200  1.0
  Cu  Cu1  1  0.50012500  0.79884400  0.99794800  1.0
  Cu  Cu2  1  0.99973100  0.04893000  0.00200700  1.0
  Cu  Cu3  1  0.00026900  0.54893000  0.99799300  1.0
  N  N4  1  0.74837500  0.83512000  0.44885400  1.0
  N  N5  1  0.25162500  0.33512000  0.55114600  1.0
  O  O6  1  0.83763800  0.29730700  0.86903700  1.0
  O  O7  1  0.16236200  0.79730700  0.13096300  1.0
  O  O8  1  0.32181000  0.54655600  0.86787200  1.0
  O  O9  1  0.67819000  0.04655600  0.13212800  1.0
  O  O10  1  0.67602700  0.55075300  0.12333500  1.0
  O  O11  1  0.32397300  0.05075300  0.87666500  1.0
  O  O12  1  0.82509400  0.80216100  0.86150000  1.0
  O  O13  1  0.17490600  0.30216100  0.13850000  1.0
  O  O14  1  0.93217700  0.93277600  0.51809700  1.0
  O  O15  1  0.06782300  0.43277600  0.48190300  1.0
  O  O16  1  0.59205900  0.70495500  0.49575600  1.0
  O  O17  1  0.40794100  0.20495500  0.50424400  1.0