# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39479223
_cell_length_b   8.67330133
_cell_length_c   49.08861043
_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   Cu72
_cell_volume   1871.12810196
_cell_formula_units_Z   72
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  0.007517  0.520039  0.280957  1
  Cu  Cu2  1  0.504899  0.472837  0.303769  1
  Cu  Cu3  1  0.341465  0.205685  0.316303  1
  Cu  Cu4  1  0.847465  0.245919  0.291614  1
  Cu  Cu5  1  1.002478  0.972837  0.303769  1
  Cu  Cu6  1  0.499860  0.020039  0.280957  1
  Cu  Cu7  1  0.165912  0.705685  0.316303  1
  Cu  Cu8  1  0.659912  0.745919  0.291614  1
  Cu  Cu9  1  0.003739  0.432580  0.329225  1
  Cu  Cu10  1  0.504446  0.389721  0.353752  1
  Cu  Cu11  1  0.340314  0.118697  0.366193  1
  Cu  Cu12  1  0.840933  0.160543  0.340967  1
  Cu  Cu13  1  1.002931  0.889721  0.353752  1
  Cu  Cu14  1  0.503638  0.932580  0.329225  1
  Cu  Cu15  1  0.167063  0.618697  0.366193  1
  Cu  Cu16  1  0.666444  0.660543  0.340967  1
  Cu  Cu17  1  0.003923  0.346563  0.378843  1
  Cu  Cu18  1  0.503821  0.304097  0.403861  1
  Cu  Cu19  1  0.340454  0.032738  0.416344  1
  Cu  Cu20  1  0.840239  0.075487  0.391243  1
  Cu  Cu21  1  1.003556  0.804097  0.403861  1
  Cu  Cu22  1  0.503454  0.846563  0.378843  1
  Cu  Cu23  1  0.166923  0.532738  0.416344  1
  Cu  Cu24  1  0.667138  0.575487  0.391243  1
  Cu  Cu25  1  0.003701  0.261232  0.428917  1
  Cu  Cu26  1  0.503664  0.218487  0.453971  1
  Cu  Cu27  1  0.340632  0.947111  0.466488  1
  Cu  Cu28  1  0.840536  0.989922  0.441418  1
  Cu  Cu29  1  0.003713  0.718487  0.453971  1
  Cu  Cu30  1  0.503676  0.761232  0.428917  1
  Cu  Cu31  1  0.166745  0.447111  0.466488  1
  Cu  Cu32  1  0.666841  0.489922  0.441418  1
  Cu  Cu33  1  1.003649  0.175683  0.479035  1
  Cu  Cu34  1  0.503635  0.132884  0.504099  1
  Cu  Cu35  1  0.340753  0.861502  0.516621  1
  Cu  Cu36  1  0.840696  0.904304  0.491556  1
  Cu  Cu37  1  0.003742  0.632884  0.504099  1
  Cu  Cu38  1  0.503728  0.675683  0.479035  1
  Cu  Cu39  1  0.166624  0.361502  0.516621  1
  Cu  Cu40  1  0.666681  0.404304  0.491556  1
  Cu  Cu41  1  1.003614  0.090075  0.529167  1
  Cu  Cu42  1  0.503571  0.047272  0.554237  1
  Cu  Cu43  1  0.340907  0.775930  0.566744  1
  Cu  Cu44  1  0.840814  0.818696  0.541686  1
  Cu  Cu45  1  0.003806  0.547272  0.554237  1
  Cu  Cu46  1  0.503763  0.590075  0.529167  1
  Cu  Cu47  1  0.166470  0.275930  0.566744  1
  Cu  Cu48  1  0.666563  0.318696  0.541686  1
  Cu  Cu49  1  1.003506  0.004415  0.579312  1
  Cu  Cu50  1  0.503377  0.961747  0.604408  1
  Cu  Cu51  1  0.341340  0.690478  0.616827  1
  Cu  Cu52  1  0.840966  0.733077  0.591808  1
  Cu  Cu53  1  0.004000  0.461747  0.604408  1
  Cu  Cu54  1  0.503871  0.504415  0.579312  1
  Cu  Cu55  1  0.166037  0.190478  0.616827  1
  Cu  Cu56  1  0.666411  0.233077  0.591808  1
  Cu  Cu57  1  1.003175  0.918299  0.629478  1
  Cu  Cu58  1  0.503688  0.876558  0.654619  1
  Cu  Cu59  1  0.342976  0.604490  0.666468  1
  Cu  Cu60  1  0.841130  0.647407  0.641955  1
  Cu  Cu61  1  0.003689  0.376558  0.654619  1
  Cu  Cu62  1  0.504202  0.418299  0.629478  1
  Cu  Cu63  1  0.164401  0.104490  0.666468  1
  Cu  Cu64  1  0.666247  0.147407  0.641955  1
  Cu  Cu65  1  0.004077  0.831338  0.679477  1
  Cu  Cu66  1  0.504698  0.790425  0.703903  1
  Cu  Cu67  1  0.339108  0.518378  0.714789  1
  Cu  Cu68  1  0.842333  0.562932  0.691860  1
  Cu  Cu69  1  1.002679  0.290425  0.703903  1
  Cu  Cu70  1  0.503300  0.331338  0.679477  1
  Cu  Cu71  1  0.168269  0.018378  0.714789  1
  Cu  Cu72  1  0.665044  0.062932  0.691860  1
