# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12235997
_cell_length_b   11.43954943
_cell_length_c   45.09896511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu96
_cell_volume   2575.77185163
_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  0.268063  0.031014  0.323522  1
  Cu  Cu2  1  0.951476  0.397804  0.288458  1
  Cu  Cu3  1  0.109610  0.714040  0.305564  1
  Cu  Cu4  1  0.109610  0.214040  0.305564  1
  Cu  Cu5  1  0.268063  0.531014  0.323522  1
  Cu  Cu6  1  0.951476  0.897804  0.288458  1
  Cu  Cu7  1  0.609610  0.214040  0.305564  1
  Cu  Cu8  1  0.768063  0.531014  0.323522  1
  Cu  Cu9  1  0.451476  0.897804  0.288458  1
  Cu  Cu10  1  0.768063  0.031014  0.323522  1
  Cu  Cu11  1  0.451476  0.397804  0.288458  1
  Cu  Cu12  1  0.609610  0.714040  0.305564  1
  Cu  Cu13  1  0.741262  0.977539  0.378991  1
  Cu  Cu14  1  0.425558  0.346049  0.341881  1
  Cu  Cu15  1  0.583376  0.661728  0.360371  1
  Cu  Cu16  1  0.583376  0.161728  0.360371  1
  Cu  Cu17  1  0.741262  0.477539  0.378991  1
  Cu  Cu18  1  0.425558  0.846049  0.341881  1
  Cu  Cu19  1  0.083376  0.161728  0.360371  1
  Cu  Cu20  1  0.241262  0.477539  0.378991  1
  Cu  Cu21  1  0.925558  0.846049  0.341881  1
  Cu  Cu22  1  0.241262  0.977539  0.378991  1
  Cu  Cu23  1  0.925558  0.346049  0.341881  1
  Cu  Cu24  1  0.083376  0.661728  0.360371  1
  Cu  Cu25  1  0.214669  0.924482  0.434747  1
  Cu  Cu26  1  0.899035  0.293124  0.397552  1
  Cu  Cu27  1  0.056875  0.608848  0.416156  1
  Cu  Cu28  1  0.056875  0.108848  0.416156  1
  Cu  Cu29  1  0.214669  0.424482  0.434747  1
  Cu  Cu30  1  0.899035  0.793124  0.397552  1
  Cu  Cu31  1  0.556875  0.108848  0.416156  1
  Cu  Cu32  1  0.714669  0.424482  0.434747  1
  Cu  Cu33  1  0.399035  0.793124  0.397552  1
  Cu  Cu34  1  0.714669  0.924482  0.434747  1
  Cu  Cu35  1  0.399035  0.293124  0.397552  1
  Cu  Cu36  1  0.556875  0.608848  0.416156  1
  Cu  Cu37  1  0.688094  0.871468  0.490522  1
  Cu  Cu38  1  0.372481  0.240151  0.453338  1
  Cu  Cu39  1  0.530289  0.555811  0.471932  1
  Cu  Cu40  1  0.530289  0.055811  0.471932  1
  Cu  Cu41  1  0.688094  0.371468  0.490522  1
  Cu  Cu42  1  0.372481  0.740151  0.453338  1
  Cu  Cu43  1  0.030289  0.055811  0.471932  1
  Cu  Cu44  1  0.188094  0.371468  0.490522  1
  Cu  Cu45  1  0.872481  0.740151  0.453338  1
  Cu  Cu46  1  0.188094  0.871468  0.490522  1
  Cu  Cu47  1  0.872481  0.240151  0.453338  1
  Cu  Cu48  1  0.030289  0.555811  0.471932  1
  Cu  Cu49  1  0.161516  0.818447  0.546300  1
  Cu  Cu50  1  0.845903  0.187131  0.509116  1
  Cu  Cu51  1  1.003709  0.502787  0.527706  1
  Cu  Cu52  1  1.003709  1.002787  0.527706  1
  Cu  Cu53  1  0.161516  0.318447  0.546300  1
  Cu  Cu54  1  0.845903  0.687131  0.509116  1
  Cu  Cu55  1  0.503709  1.002787  0.527706  1
  Cu  Cu56  1  0.661516  0.318447  0.546300  1
  Cu  Cu57  1  0.345903  0.687131  0.509116  1
  Cu  Cu58  1  0.661516  0.818447  0.546300  1
  Cu  Cu59  1  0.345903  0.187131  0.509116  1
  Cu  Cu60  1  0.503709  0.502787  0.527706  1
  Cu  Cu61  1  0.634963  0.765474  0.602086  1
  Cu  Cu62  1  0.319328  0.134116  0.564892  1
  Cu  Cu63  1  0.477123  0.449750  0.583482  1
  Cu  Cu64  1  0.477123  0.949750  0.583482  1
  Cu  Cu65  1  0.634963  0.265474  0.602086  1
  Cu  Cu66  1  0.319328  0.634116  0.564892  1
  Cu  Cu67  1  0.977123  0.949750  0.583482  1
  Cu  Cu68  1  0.134963  0.265474  0.602086  1
  Cu  Cu69  1  0.819328  0.634116  0.564892  1
  Cu  Cu70  1  0.134963  0.765474  0.602086  1
  Cu  Cu71  1  0.819328  0.134116  0.564892  1
  Cu  Cu72  1  0.977123  0.449750  0.583482  1
  Cu  Cu73  1  0.108440  0.712549  0.657757  1
  Cu  Cu74  1  0.792735  0.081059  0.620647  1
  Cu  Cu75  1  0.950621  0.396870  0.639267  1
  Cu  Cu76  1  0.950621  0.896870  0.639267  1
  Cu  Cu77  1  0.108440  0.212549  0.657757  1
  Cu  Cu78  1  0.792735  0.581059  0.620647  1
  Cu  Cu79  1  0.450621  0.896870  0.639267  1
  Cu  Cu80  1  0.608440  0.212549  0.657757  1
  Cu  Cu81  1  0.292735  0.581059  0.620647  1
  Cu  Cu82  1  0.608440  0.712549  0.657757  1
  Cu  Cu83  1  0.292735  0.081059  0.620647  1
  Cu  Cu84  1  0.450621  0.396870  0.639267  1
  Cu  Cu85  1  0.582521  0.660794  0.711180  1
  Cu  Cu86  1  0.265934  0.027584  0.676116  1
  Cu  Cu87  1  0.424388  0.344558  0.694074  1
  Cu  Cu88  1  0.424388  0.844558  0.694074  1
  Cu  Cu89  1  0.582521  0.160794  0.711180  1
  Cu  Cu90  1  0.265934  0.527584  0.676116  1
  Cu  Cu91  1  0.924388  0.844558  0.694074  1
  Cu  Cu92  1  0.082521  0.160794  0.711180  1
  Cu  Cu93  1  0.765934  0.527584  0.676116  1
  Cu  Cu94  1  0.082521  0.660794  0.711180  1
  Cu  Cu95  1  0.765934  0.027584  0.676116  1
  Cu  Cu96  1  0.924388  0.344558  0.694074  1
