# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12064170
_cell_length_b   11.43405332
_cell_length_c   45.10933015
_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   2574.26221646
_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  0.268482  0.031464  0.323388  1
  Cu  Cu2  1  0.951961  0.398370  0.288528  1
  Cu  Cu3  1  0.109822  0.714066  0.305362  1
  Cu  Cu4  1  0.109822  0.214066  0.305362  1
  Cu  Cu5  1  0.268482  0.531464  0.323388  1
  Cu  Cu6  1  0.951961  0.898370  0.288528  1
  Cu  Cu7  1  0.609822  0.214066  0.305362  1
  Cu  Cu8  1  0.768482  0.531464  0.323388  1
  Cu  Cu9  1  0.451961  0.898370  0.288528  1
  Cu  Cu10  1  0.768482  0.031464  0.323388  1
  Cu  Cu11  1  0.451961  0.398370  0.288528  1
  Cu  Cu12  1  0.609822  0.714066  0.305362  1
  Cu  Cu13  1  0.741590  0.977836  0.378829  1
  Cu  Cu14  1  0.425828  0.346213  0.341708  1
  Cu  Cu15  1  0.583768  0.662145  0.360221  1
  Cu  Cu16  1  0.583768  0.162145  0.360221  1
  Cu  Cu17  1  0.741590  0.477836  0.378829  1
  Cu  Cu18  1  0.425828  0.846213  0.341708  1
  Cu  Cu19  1  0.083768  0.162145  0.360221  1
  Cu  Cu20  1  0.241590  0.477836  0.378829  1
  Cu  Cu21  1  0.925828  0.846213  0.341708  1
  Cu  Cu22  1  0.241590  0.977836  0.378829  1
  Cu  Cu23  1  0.925828  0.346213  0.341708  1
  Cu  Cu24  1  0.083768  0.662145  0.360221  1
  Cu  Cu25  1  0.214976  0.924755  0.434612  1
  Cu  Cu26  1  0.899363  0.293427  0.397417  1
  Cu  Cu27  1  0.057183  0.609116  0.416020  1
  Cu  Cu28  1  0.057183  0.109116  0.416020  1
  Cu  Cu29  1  0.214976  0.424755  0.434612  1
  Cu  Cu30  1  0.899363  0.793427  0.397417  1
  Cu  Cu31  1  0.557183  0.109116  0.416020  1
  Cu  Cu32  1  0.714976  0.424755  0.434612  1
  Cu  Cu33  1  0.399363  0.793427  0.397417  1
  Cu  Cu34  1  0.714976  0.924755  0.434612  1
  Cu  Cu35  1  0.399363  0.293427  0.397417  1
  Cu  Cu36  1  0.557183  0.609116  0.416020  1
  Cu  Cu37  1  0.688376  0.871708  0.490399  1
  Cu  Cu38  1  0.372779  0.240411  0.453209  1
  Cu  Cu39  1  0.530577  0.556058  0.471804  1
  Cu  Cu40  1  0.530577  0.056058  0.471804  1
  Cu  Cu41  1  0.688376  0.371708  0.490399  1
  Cu  Cu42  1  0.372779  0.740411  0.453209  1
  Cu  Cu43  1  0.030577  0.056058  0.471804  1
  Cu  Cu44  1  0.188376  0.371708  0.490399  1
  Cu  Cu45  1  0.872779  0.740411  0.453209  1
  Cu  Cu46  1  0.188376  0.871708  0.490399  1
  Cu  Cu47  1  0.872779  0.240411  0.453209  1
  Cu  Cu48  1  0.030577  0.556058  0.471804  1
  Cu  Cu49  1  0.161773  0.818655  0.546184  1
  Cu  Cu50  1  0.846176  0.187358  0.508994  1
  Cu  Cu51  1  1.003975  0.503008  0.527589  1
  Cu  Cu52  1  1.003975  1.003008  0.527589  1
  Cu  Cu53  1  0.161773  0.318655  0.546184  1
  Cu  Cu54  1  0.846176  0.687358  0.508994  1
  Cu  Cu55  1  0.503975  1.003008  0.527589  1
  Cu  Cu56  1  0.661773  0.318655  0.546184  1
  Cu  Cu57  1  0.346176  0.687358  0.508994  1
  Cu  Cu58  1  0.661773  0.818655  0.546184  1
  Cu  Cu59  1  0.346176  0.187358  0.508994  1
  Cu  Cu60  1  0.503975  0.503008  0.527589  1
  Cu  Cu61  1  0.635189  0.765639  0.601976  1
  Cu  Cu62  1  0.319576  0.134311  0.564781  1
  Cu  Cu63  1  0.477369  0.449950  0.583373  1
  Cu  Cu64  1  0.477369  0.949950  0.583373  1
  Cu  Cu65  1  0.635189  0.265639  0.601976  1
  Cu  Cu66  1  0.319576  0.634311  0.564781  1
  Cu  Cu67  1  0.977369  0.949950  0.583373  1
  Cu  Cu68  1  0.135189  0.265639  0.601976  1
  Cu  Cu69  1  0.819576  0.634311  0.564781  1
  Cu  Cu70  1  0.135189  0.765639  0.601976  1
  Cu  Cu71  1  0.819576  0.134311  0.564781  1
  Cu  Cu72  1  0.977369  0.449950  0.583373  1
  Cu  Cu73  1  0.108724  0.712853  0.657685  1
  Cu  Cu74  1  0.792961  0.081230  0.620563  1
  Cu  Cu75  1  0.950784  0.396921  0.639172  1
  Cu  Cu76  1  0.950784  0.896921  0.639172  1
  Cu  Cu77  1  0.108724  0.212853  0.657685  1
  Cu  Cu78  1  0.792961  0.581230  0.620563  1
  Cu  Cu79  1  0.450784  0.896921  0.639172  1
  Cu  Cu80  1  0.608724  0.212853  0.657685  1
  Cu  Cu81  1  0.292961  0.581230  0.620563  1
  Cu  Cu82  1  0.608724  0.712853  0.657685  1
  Cu  Cu83  1  0.292961  0.081230  0.620563  1
  Cu  Cu84  1  0.450784  0.396921  0.639172  1
  Cu  Cu85  1  0.582591  0.660696  0.710865  1
  Cu  Cu86  1  0.266070  0.027601  0.676005  1
  Cu  Cu87  1  0.424729  0.345000  0.694030  1
  Cu  Cu88  1  0.424729  0.845000  0.694030  1
  Cu  Cu89  1  0.582591  0.160696  0.710865  1
  Cu  Cu90  1  0.266070  0.527601  0.676005  1
  Cu  Cu91  1  0.924729  0.845000  0.694030  1
  Cu  Cu92  1  0.082591  0.160696  0.710865  1
  Cu  Cu93  1  0.766070  0.527601  0.676005  1
  Cu  Cu94  1  0.082591  0.660696  0.710865  1
  Cu  Cu95  1  0.766070  0.027601  0.676005  1
  Cu  Cu96  1  0.924729  0.345000  0.694030  1
