# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42852182
_cell_length_b   8.76179249
_cell_length_c   49.26186743
_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   1911.44859839
_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  0.003091  0.977099  0.305332  1
  Cu  Cu2  1  0.503467  0.018566  0.282429  1
  Cu  Cu3  1  0.336897  0.747921  0.293428  1
  Cu  Cu4  1  0.835396  0.708492  0.317277  1
  Cu  Cu5  1  1.002087  0.518566  0.282429  1
  Cu  Cu6  1  0.502464  0.477099  0.305332  1
  Cu  Cu7  1  0.168658  0.247921  0.293428  1
  Cu  Cu8  1  0.670159  0.208492  0.317277  1
  Cu  Cu9  1  0.003466  0.892521  0.354918  1
  Cu  Cu10  1  0.502751  0.935792  0.330259  1
  Cu  Cu11  1  0.336070  0.663494  0.342218  1
  Cu  Cu12  1  0.837011  0.621792  0.367393  1
  Cu  Cu13  1  0.002804  0.435792  0.330259  1
  Cu  Cu14  1  0.502089  0.392521  0.354918  1
  Cu  Cu15  1  0.169485  0.163494  0.342218  1
  Cu  Cu16  1  0.668544  0.121792  0.367393  1
  Cu  Cu17  1  1.002623  0.807915  0.405055  1
  Cu  Cu18  1  0.502864  0.850255  0.379974  1
  Cu  Cu19  1  0.337963  0.579111  0.392458  1
  Cu  Cu20  1  0.838634  0.536666  0.417593  1
  Cu  Cu21  1  1.002691  0.350255  0.379974  1
  Cu  Cu22  1  0.502931  0.307915  0.405055  1
  Cu  Cu23  1  0.167591  0.079111  0.392458  1
  Cu  Cu24  1  0.666921  0.036666  0.417593  1
  Cu  Cu25  1  1.002659  0.722830  0.455215  1
  Cu  Cu26  1  0.502589  0.765345  0.430114  1
  Cu  Cu27  1  0.338926  0.494106  0.442673  1
  Cu  Cu28  1  0.839118  0.451521  0.467762  1
  Cu  Cu29  1  0.002966  0.265345  0.430114  1
  Cu  Cu30  1  0.502896  0.222830  0.455215  1
  Cu  Cu31  1  0.166629  0.994106  0.442673  1
  Cu  Cu32  1  0.666437  0.951521  0.467762  1
  Cu  Cu33  1  1.002730  0.637687  0.505394  1
  Cu  Cu34  1  0.502710  0.680258  0.480301  1
  Cu  Cu35  1  0.339209  0.408976  0.492852  1
  Cu  Cu36  1  0.839254  0.366416  0.517940  1
  Cu  Cu37  1  0.002845  0.180258  0.480301  1
  Cu  Cu38  1  0.502825  0.137687  0.505394  1
  Cu  Cu39  1  0.166345  0.908976  0.492852  1
  Cu  Cu40  1  0.666301  0.866416  0.517940  1
  Cu  Cu41  1  1.002740  0.552541  0.555588  1
  Cu  Cu42  1  0.502747  0.595133  0.530490  1
  Cu  Cu43  1  0.339300  0.323846  0.543021  1
  Cu  Cu44  1  0.839296  0.281326  0.568117  1
  Cu  Cu45  1  0.002808  0.095133  0.530490  1
  Cu  Cu46  1  0.502815  0.052541  0.555588  1
  Cu  Cu47  1  0.166255  0.823846  0.543021  1
  Cu  Cu48  1  0.666259  0.781326  0.568117  1
  Cu  Cu49  1  1.002515  0.467471  0.605828  1
  Cu  Cu50  1  0.502717  0.509974  0.580677  1
  Cu  Cu51  1  0.339212  0.238746  0.593180  1
  Cu  Cu52  1  0.838993  0.196357  0.618257  1
  Cu  Cu53  1  0.002838  0.009974  0.580677  1
  Cu  Cu54  1  0.503040  0.967471  0.605828  1
  Cu  Cu55  1  0.166343  0.738746  0.593180  1
  Cu  Cu56  1  0.666562  0.696357  0.618257  1
  Cu  Cu57  1  1.002340  0.382694  0.656080  1
  Cu  Cu58  1  0.501965  0.424600  0.630882  1
  Cu  Cu59  1  0.337982  0.154205  0.643355  1
  Cu  Cu60  1  0.837997  0.110556  0.667984  1
  Cu  Cu61  1  0.003590  0.924600  0.630882  1
  Cu  Cu62  1  0.503215  0.882694  0.656080  1
  Cu  Cu63  1  0.167572  0.654205  0.643355  1
  Cu  Cu64  1  0.667557  0.610556  0.667984  1
  Cu  Cu65  1  0.003786  0.298008  0.704876  1
  Cu  Cu66  1  0.503741  0.337444  0.681033  1
  Cu  Cu67  1  0.334551  0.068785  0.692901  1
  Cu  Cu68  1  0.830117  0.027309  0.715736  1
  Cu  Cu69  1  1.001813  0.837444  0.681033  1
  Cu  Cu70  1  0.501768  0.798008  0.704876  1
  Cu  Cu71  1  0.171004  0.568785  0.692901  1
  Cu  Cu72  1  0.675438  0.527309  0.715736  1
