# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10933686
_cell_length_b   11.35934085
_cell_length_c   49.88447382
_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   Cu108
_cell_volume   2821.92109691
_cell_formula_units_Z   108
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  0.344830  0.188252  0.298142  1
  Cu  Cu2  1  0.503384  0.505586  0.315567  1
  Cu  Cu3  1  0.188673  0.876057  0.282957  1
  Cu  Cu4  1  0.503384  0.005586  0.315567  1
  Cu  Cu5  1  0.188673  0.376057  0.282957  1
  Cu  Cu6  1  0.344830  0.688252  0.298142  1
  Cu  Cu7  1  0.003384  0.005586  0.315567  1
  Cu  Cu8  1  0.688673  0.376057  0.282957  1
  Cu  Cu9  1  0.844830  0.688252  0.298142  1
  Cu  Cu10  1  0.844830  0.188252  0.298142  1
  Cu  Cu11  1  0.003384  0.505586  0.315567  1
  Cu  Cu12  1  0.688673  0.876057  0.282957  1
  Cu  Cu13  1  0.818538  0.136182  0.348616  1
  Cu  Cu14  1  0.975901  0.451047  0.365223  1
  Cu  Cu15  1  0.660156  0.819268  0.331765  1
  Cu  Cu16  1  0.975901  0.951047  0.365223  1
  Cu  Cu17  1  0.660156  0.319268  0.331765  1
  Cu  Cu18  1  0.818538  0.636182  0.348616  1
  Cu  Cu19  1  0.475901  0.951047  0.365223  1
  Cu  Cu20  1  0.160156  0.319268  0.331765  1
  Cu  Cu21  1  0.318538  0.636182  0.348616  1
  Cu  Cu22  1  0.318538  0.136182  0.348616  1
  Cu  Cu23  1  0.475901  0.451047  0.365223  1
  Cu  Cu24  1  0.160156  0.819268  0.331765  1
  Cu  Cu25  1  0.291502  0.082401  0.398618  1
  Cu  Cu26  1  0.449357  0.398156  0.415323  1
  Cu  Cu27  1  0.133834  0.766994  0.381976  1
  Cu  Cu28  1  0.449357  0.898156  0.415323  1
  Cu  Cu29  1  0.133834  0.266994  0.381976  1
  Cu  Cu30  1  0.291502  0.582401  0.398618  1
  Cu  Cu31  1  0.949357  0.898156  0.415323  1
  Cu  Cu32  1  0.633834  0.266994  0.381976  1
  Cu  Cu33  1  0.791502  0.582401  0.398618  1
  Cu  Cu34  1  0.791502  0.082401  0.398618  1
  Cu  Cu35  1  0.949357  0.398156  0.415323  1
  Cu  Cu36  1  0.633834  0.766994  0.381976  1
  Cu  Cu37  1  0.765005  0.029499  0.448676  1
  Cu  Cu38  1  0.922883  0.345262  0.465363  1
  Cu  Cu39  1  0.607132  0.713736  0.431989  1
  Cu  Cu40  1  0.922883  0.845262  0.465363  1
  Cu  Cu41  1  0.607132  0.213736  0.431989  1
  Cu  Cu42  1  0.765005  0.529499  0.448676  1
  Cu  Cu43  1  0.422883  0.845262  0.465363  1
  Cu  Cu44  1  0.107132  0.213736  0.431989  1
  Cu  Cu45  1  0.265005  0.529499  0.448676  1
  Cu  Cu46  1  0.265005  0.029499  0.448676  1
  Cu  Cu47  1  0.422883  0.345262  0.465363  1
  Cu  Cu48  1  0.107132  0.713736  0.431989  1
  Cu  Cu49  1  0.238666  0.976828  0.498718  1
  Cu  Cu50  1  0.396549  0.292594  0.515393  1
  Cu  Cu51  1  0.080782  0.661063  0.482043  1
  Cu  Cu52  1  0.396549  0.792594  0.515393  1
  Cu  Cu53  1  0.080782  0.161063  0.482043  1
  Cu  Cu54  1  0.238666  0.476828  0.498718  1
  Cu  Cu55  1  0.896549  0.792594  0.515393  1
  Cu  Cu56  1  0.580782  0.161063  0.482043  1
  Cu  Cu57  1  0.738666  0.476828  0.498718  1
  Cu  Cu58  1  0.738666  0.976828  0.498718  1
  Cu  Cu59  1  0.896549  0.292594  0.515393  1
  Cu  Cu60  1  0.580782  0.661063  0.482043  1
  Cu  Cu61  1  0.712326  0.924158  0.548759  1
  Cu  Cu62  1  0.870199  0.239921  0.565446  1
  Cu  Cu63  1  0.554449  0.608395  0.532072  1
  Cu  Cu64  1  0.870199  0.739921  0.565446  1
  Cu  Cu65  1  0.554449  0.108395  0.532072  1
  Cu  Cu66  1  0.712326  0.424158  0.548759  1
  Cu  Cu67  1  0.370199  0.739921  0.565446  1
  Cu  Cu68  1  0.054449  0.108395  0.532072  1
  Cu  Cu69  1  0.212326  0.424158  0.548759  1
  Cu  Cu70  1  0.212326  0.924158  0.548759  1
  Cu  Cu71  1  0.370199  0.239921  0.565446  1
  Cu  Cu72  1  0.054449  0.608395  0.532072  1
  Cu  Cu73  1  0.185830  0.871256  0.598818  1
  Cu  Cu74  1  0.343497  0.186662  0.615459  1
  Cu  Cu75  1  0.027975  0.555501  0.582112  1
  Cu  Cu76  1  0.343497  0.686662  0.615459  1
  Cu  Cu77  1  0.027975  0.055501  0.582112  1
  Cu  Cu78  1  0.185830  0.371256  0.598818  1
  Cu  Cu79  1  0.843497  0.686662  0.615459  1
  Cu  Cu80  1  0.527975  0.055501  0.582112  1
  Cu  Cu81  1  0.685830  0.371256  0.598818  1
  Cu  Cu82  1  0.685830  0.871256  0.598818  1
  Cu  Cu83  1  0.843497  0.186662  0.615459  1
  Cu  Cu84  1  0.527975  0.555501  0.582112  1
  Cu  Cu85  1  0.658793  0.817475  0.648819  1
  Cu  Cu86  1  0.817176  0.134389  0.665670  1
  Cu  Cu87  1  0.501430  0.502610  0.632212  1
  Cu  Cu88  1  0.817176  0.634389  0.665670  1
  Cu  Cu89  1  0.501430  1.002610  0.632212  1
  Cu  Cu90  1  0.658793  0.317475  0.648819  1
  Cu  Cu91  1  0.317176  0.634389  0.665670  1
  Cu  Cu92  1  1.001430  1.002610  0.632212  1
  Cu  Cu93  1  0.158793  0.317475  0.648819  1
  Cu  Cu94  1  0.158793  0.817475  0.648819  1
  Cu  Cu95  1  0.317176  0.134389  0.665670  1
  Cu  Cu96  1  1.001430  0.502610  0.632212  1
  Cu  Cu97  1  0.132501  0.765405  0.699293  1
  Cu  Cu98  1  0.288658  0.077600  0.714478  1
  Cu  Cu99  1  0.973947  0.448071  0.681869  1
  Cu  Cu100  1  0.288658  0.577600  0.714478  1
  Cu  Cu101  1  0.973947  0.948071  0.681869  1
  Cu  Cu102  1  0.132501  0.265405  0.699293  1
  Cu  Cu103  1  0.788658  0.577600  0.714478  1
  Cu  Cu104  1  0.473947  0.948071  0.681869  1
  Cu  Cu105  1  0.632501  0.265405  0.699293  1
  Cu  Cu106  1  0.632501  0.765405  0.699293  1
  Cu  Cu107  1  0.788658  0.077600  0.714478  1
  Cu  Cu108  1  0.473947  0.448071  0.681869  1
