# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20052523
_cell_length_b   9.19422922
_cell_length_c   46.35754037
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu66
_cell_volume   1790.3556444
_cell_formula_units_Z   66
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  Cu1  1  0.251268  0.043233  0.314543  1
  Cu  Cu2  1  0.251268  0.774889  0.301957  1
  Cu  Cu3  1  0.251268  0.504550  0.289641  1
  Cu  Cu4  1  0.751268  0.087950  0.286304  1
  Cu  Cu5  1  0.751268  0.621383  0.309998  1
  Cu  Cu6  1  0.751268  0.353546  0.297616  1
  Cu  Cu7  1  0.251268  0.851112  0.354090  1
  Cu  Cu8  1  0.251268  0.580889  0.340700  1
  Cu  Cu9  1  0.251268  0.308862  0.326717  1
  Cu  Cu10  1  0.751268  0.888781  0.323270  1
  Cu  Cu11  1  0.751268  0.427490  0.349489  1
  Cu  Cu12  1  0.751268  0.158118  0.337261  1
  Cu  Cu13  1  0.251268  0.658362  0.393994  1
  Cu  Cu14  1  0.251268  0.388684  0.380459  1
  Cu  Cu15  1  0.251268  0.119850  0.367557  1
  Cu  Cu16  1  0.751268  0.696295  0.362914  1
  Cu  Cu17  1  0.751268  0.234598  0.390146  1
  Cu  Cu18  1  0.751268  0.964752  0.376654  1
  Cu  Cu19  1  0.251268  0.466093  0.434121  1
  Cu  Cu20  1  0.251268  0.196986  0.420937  1
  Cu  Cu21  1  0.251268  0.927529  0.407577  1
  Cu  Cu22  1  0.751268  0.503328  0.403171  1
  Cu  Cu23  1  0.751268  0.041562  0.430176  1
  Cu  Cu24  1  0.751268  0.772108  0.416665  1
  Cu  Cu25  1  0.251268  0.273837  0.474429  1
  Cu  Cu26  1  0.251268  0.004454  0.461072  1
  Cu  Cu27  1  0.251268  0.735170  0.447596  1
  Cu  Cu28  1  0.751268  0.311054  0.443566  1
  Cu  Cu29  1  0.751268  0.849023  0.470275  1
  Cu  Cu30  1  0.751268  0.579930  0.456869  1
  Cu  Cu31  1  0.251268  0.081289  0.514581  1
  Cu  Cu32  1  0.251268  0.811986  0.501167  1
  Cu  Cu33  1  0.251268  0.542935  0.487765  1
  Cu  Cu34  1  0.751268  0.118422  0.483687  1
  Cu  Cu35  1  0.751268  0.656777  0.510503  1
  Cu  Cu36  1  0.751268  0.387726  0.497102  1
  Cu  Cu37  1  0.251268  0.888658  0.554702  1
  Cu  Cu38  1  0.251268  0.619782  0.541399  1
  Cu  Cu39  1  0.251268  0.350689  0.527993  1
  Cu  Cu40  1  0.751268  0.925875  0.523839  1
  Cu  Cu41  1  0.751268  0.464542  0.550672  1
  Cu  Cu42  1  0.751268  0.195258  0.537196  1
  Cu  Cu43  1  0.251268  0.696384  0.595097  1
  Cu  Cu44  1  0.251268  0.427604  0.581603  1
  Cu  Cu45  1  0.251268  0.158150  0.568092  1
  Cu  Cu46  1  0.751268  0.733619  0.564147  1
  Cu  Cu47  1  0.751268  0.272183  0.590691  1
  Cu  Cu48  1  0.751268  1.002726  0.577331  1
  Cu  Cu49  1  0.251268  0.503417  0.635354  1
  Cu  Cu50  1  0.251268  0.234960  0.621614  1
  Cu  Cu51  1  0.251268  0.965114  0.608122  1
  Cu  Cu52  1  0.751268  0.541349  0.604274  1
  Cu  Cu53  1  0.751268  0.079862  0.630711  1
  Cu  Cu54  1  0.751268  0.811028  0.617809  1
  Cu  Cu55  1  0.251268  0.310931  0.674998  1
  Cu  Cu56  1  0.251268  0.041594  0.661007  1
  Cu  Cu57  1  0.251268  0.772221  0.648779  1
  Cu  Cu58  1  0.751268  0.348600  0.644178  1
  Cu  Cu59  1  0.751268  0.890849  0.671551  1
  Cu  Cu60  1  0.751268  0.618823  0.657568  1
  Cu  Cu61  1  0.251268  0.111762  0.711964  1
  Cu  Cu62  1  0.251268  0.846165  0.700652  1
  Cu  Cu63  1  0.251268  0.578329  0.688270  1
  Cu  Cu64  1  0.751268  0.156478  0.683725  1
  Cu  Cu65  1  0.751268  0.695162  0.708627  1
  Cu  Cu66  1  0.751268  0.424823  0.696311  1
