# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35407218
_cell_length_b   12.97163871
_cell_length_c   45.94330584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.71931191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2557.60780234
_cell_formula_units_Z   96
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  0.404358  0.153936  0.282080  1
  Cu  Cu2  1  0.571412  0.481183  0.290714  1
  Cu  Cu3  1  0.732679  0.810730  0.298355  1
  Cu  Cu4  1  0.663402  0.991634  0.278790  1
  Cu  Cu5  1  0.837904  0.316748  0.286394  1
  Cu  Cu6  1  1.002383  0.645350  0.294979  1
  Cu  Cu7  1  0.904535  0.142657  0.309029  1
  Cu  Cu8  1  0.069067  0.472129  0.317665  1
  Cu  Cu9  1  0.232935  0.802538  0.325708  1
  Cu  Cu10  1  0.158664  0.974823  0.303875  1
  Cu  Cu11  1  0.330696  0.307677  0.313415  1
  Cu  Cu12  1  0.496387  0.637004  0.321939  1
  Cu  Cu13  1  0.399940  0.131223  0.336503  1
  Cu  Cu14  1  0.566882  0.462775  0.345608  1
  Cu  Cu15  1  0.730340  0.792551  0.354001  1
  Cu  Cu16  1  0.656544  0.966771  0.332436  1
  Cu  Cu17  1  0.822939  0.297386  0.341232  1
  Cu  Cu18  1  0.990478  0.627868  0.349917  1
  Cu  Cu19  1  0.896223  0.122746  0.364133  1
  Cu  Cu20  1  0.062349  0.453099  0.373024  1
  Cu  Cu21  1  0.226671  0.783282  0.381734  1
  Cu  Cu22  1  0.152132  0.957344  0.359371  1
  Cu  Cu23  1  0.318762  0.287650  0.368599  1
  Cu  Cu24  1  0.485445  0.618260  0.377446  1
  Cu  Cu25  1  0.391602  0.112978  0.391957  1
  Cu  Cu26  1  0.557381  0.443383  0.400988  1
  Cu  Cu27  1  0.722237  0.773410  0.409885  1
  Cu  Cu28  1  0.648535  0.947842  0.387443  1
  Cu  Cu29  1  0.814426  0.278277  0.396584  1
  Cu  Cu30  1  0.980793  0.608534  0.405439  1
  Cu  Cu31  1  0.887159  0.103492  0.419774  1
  Cu  Cu32  1  0.052811  0.433852  0.428777  1
  Cu  Cu33  1  0.217868  0.763961  0.437772  1
  Cu  Cu34  1  0.144329  0.938287  0.415073  1
  Cu  Cu35  1  0.309879  0.268629  0.424324  1
  Cu  Cu36  1  0.475998  0.598917  0.433271  1
  Cu  Cu37  1  0.382524  0.093875  0.447602  1
  Cu  Cu38  1  0.548186  0.424224  0.456649  1
  Cu  Cu39  1  0.713288  0.754346  0.465746  1
  Cu  Cu40  1  0.640059  0.928780  0.442998  1
  Cu  Cu41  1  0.805337  0.259051  0.452195  1
  Cu  Cu42  1  0.971287  0.589356  0.461169  1
  Cu  Cu43  1  0.877919  0.084332  0.475448  1
  Cu  Cu44  1  0.043608  0.414650  0.484468  1
  Cu  Cu45  1  0.208753  0.744833  0.493612  1
  Cu  Cu46  1  0.135576  0.919250  0.470801  1
  Cu  Cu47  1  0.300782  0.249463  0.480001  1
  Cu  Cu48  1  0.466556  0.579773  0.489022  1
  Cu  Cu49  1  0.373243  0.074756  0.503301  1
  Cu  Cu50  1  0.539018  0.405066  0.512322  1
  Cu  Cu51  1  0.704223  0.735279  0.521522  1
  Cu  Cu52  1  0.631047  0.909696  0.498711  1
  Cu  Cu53  1  0.796192  0.239879  0.507855  1
  Cu  Cu54  1  0.961881  0.570197  0.516875  1
  Cu  Cu55  1  0.868512  0.065173  0.531154  1
  Cu  Cu56  1  0.034462  0.395477  0.540128  1
  Cu  Cu57  1  0.199740  0.725749  0.549325  1
  Cu  Cu58  1  0.126511  0.900183  0.526577  1
  Cu  Cu59  1  0.291613  0.230305  0.535674  1
  Cu  Cu60  1  0.457276  0.560654  0.544721  1
  Cu  Cu61  1  0.363801  0.055612  0.559052  1
  Cu  Cu62  1  0.529920  0.385900  0.567999  1
  Cu  Cu63  1  0.695470  0.716242  0.577250  1
  Cu  Cu64  1  0.621932  0.890568  0.554551  1
  Cu  Cu65  1  0.786988  0.220677  0.563546  1
  Cu  Cu66  1  0.952641  0.551037  0.572549  1
  Cu  Cu67  1  0.859007  0.045995  0.586884  1
  Cu  Cu68  1  0.025373  0.376252  0.595739  1
  Cu  Cu69  1  0.191265  0.706687  0.604880  1
  Cu  Cu70  1  0.117562  0.881119  0.582438  1
  Cu  Cu71  1  0.282418  0.211146  0.591335  1
  Cu  Cu72  1  0.448197  0.541551  0.600366  1
  Cu  Cu73  1  0.354355  0.036269  0.614877  1
  Cu  Cu74  1  0.521038  0.366879  0.623724  1
  Cu  Cu75  1  0.687667  0.697185  0.632953  1
  Cu  Cu76  1  0.613129  0.871247  0.610590  1
  Cu  Cu77  1  0.777451  0.201430  0.619299  1
  Cu  Cu78  1  0.943577  0.531782  0.628190  1
  Cu  Cu79  1  0.849321  0.026661  0.642406  1
  Cu  Cu80  1  0.016860  0.357143  0.651091  1
  Cu  Cu81  1  0.183255  0.687758  0.659887  1
  Cu  Cu82  1  0.109459  0.861978  0.638322  1
  Cu  Cu83  1  0.272917  0.191754  0.646715  1
  Cu  Cu84  1  0.439859  0.523306  0.655820  1
  Cu  Cu85  1  0.343412  0.017525  0.670384  1
  Cu  Cu86  1  0.509103  0.346852  0.678908  1
  Cu  Cu87  1  0.681135  0.679706  0.688448  1
  Cu  Cu88  1  0.606864  0.851991  0.666615  1
  Cu  Cu89  1  0.770733  0.182400  0.674658  1
  Cu  Cu90  1  0.935265  0.511872  0.683294  1
  Cu  Cu91  1  0.837416  0.009179  0.697344  1
  Cu  Cu92  1  1.001896  0.337781  0.705929  1
  Cu  Cu93  1  0.176398  0.662895  0.713533  1
  Cu  Cu94  1  0.107121  0.843799  0.693968  1
  Cu  Cu95  1  0.268387  0.173346  0.701609  1
  Cu  Cu96  1  0.435441  0.500593  0.710243  1
