# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09906345
_cell_length_b   11.34502548
_cell_length_c   49.85029204
_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   2810.77059082
_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  0.838937  0.840321  0.315744  1
  Cu  Cu2  1  0.523878  0.210070  0.283661  1
  Cu  Cu3  1  0.680249  0.522710  0.298557  1
  Cu  Cu4  1  0.523878  0.710070  0.283661  1
  Cu  Cu5  1  0.680249  0.022710  0.298557  1
  Cu  Cu6  1  0.838937  0.340321  0.315744  1
  Cu  Cu7  1  0.023878  0.710070  0.283661  1
  Cu  Cu8  1  0.180249  0.022710  0.298557  1
  Cu  Cu9  1  0.338937  0.340321  0.315744  1
  Cu  Cu10  1  0.338937  0.840321  0.315744  1
  Cu  Cu11  1  0.023878  0.210070  0.283661  1
  Cu  Cu12  1  0.180249  0.522710  0.298557  1
  Cu  Cu13  1  0.311590  0.786101  0.365296  1
  Cu  Cu14  1  0.995737  0.154093  0.331965  1
  Cu  Cu15  1  0.154160  0.471068  0.348681  1
  Cu  Cu16  1  0.995737  0.654093  0.331965  1
  Cu  Cu17  1  0.154160  0.971068  0.348681  1
  Cu  Cu18  1  0.311590  0.286101  0.365296  1
  Cu  Cu19  1  0.495737  0.654093  0.331965  1
  Cu  Cu20  1  0.654160  0.971068  0.348681  1
  Cu  Cu21  1  0.811590  0.286101  0.365296  1
  Cu  Cu22  1  0.811590  0.786101  0.365296  1
  Cu  Cu23  1  0.495737  0.154093  0.331965  1
  Cu  Cu24  1  0.654160  0.471068  0.348681  1
  Cu  Cu25  1  0.784821  0.732995  0.415508  1
  Cu  Cu26  1  0.469414  0.101884  0.382106  1
  Cu  Cu27  1  0.627044  0.417300  0.398762  1
  Cu  Cu28  1  0.469414  0.601884  0.382106  1
  Cu  Cu29  1  0.627044  0.917300  0.398762  1
  Cu  Cu30  1  0.784821  0.232995  0.415508  1
  Cu  Cu31  1  0.969414  0.601884  0.382106  1
  Cu  Cu32  1  0.127044  0.917300  0.398762  1
  Cu  Cu33  1  0.284821  0.232995  0.415508  1
  Cu  Cu34  1  0.284821  0.732995  0.415508  1
  Cu  Cu35  1  0.969414  0.101884  0.382106  1
  Cu  Cu36  1  0.127044  0.417300  0.398762  1
  Cu  Cu37  1  0.257934  0.679668  0.465651  1
  Cu  Cu38  1  0.942494  0.048493  0.432217  1
  Cu  Cu39  1  0.100229  0.364108  0.448937  1
  Cu  Cu40  1  0.942494  0.548493  0.432217  1
  Cu  Cu41  1  0.100229  0.864108  0.448937  1
  Cu  Cu42  1  0.257934  0.179668  0.465651  1
  Cu  Cu43  1  0.442494  0.548493  0.432217  1
  Cu  Cu44  1  0.600229  0.864108  0.448937  1
  Cu  Cu45  1  0.757934  0.179668  0.465651  1
  Cu  Cu46  1  0.757934  0.679668  0.465651  1
  Cu  Cu47  1  0.442494  0.048493  0.432217  1
  Cu  Cu48  1  0.600229  0.364108  0.448937  1
  Cu  Cu49  1  0.731078  0.626399  0.515803  1
  Cu  Cu50  1  0.415651  0.995250  0.482371  1
  Cu  Cu51  1  0.573365  0.310824  0.499087  1
  Cu  Cu52  1  0.415651  0.495250  0.482371  1
  Cu  Cu53  1  0.573365  0.810824  0.499087  1
  Cu  Cu54  1  0.731078  0.126399  0.515803  1
  Cu  Cu55  1  0.915651  0.495250  0.482371  1
  Cu  Cu56  1  0.073365  0.810824  0.499087  1
  Cu  Cu57  1  0.231078  0.126399  0.515803  1
  Cu  Cu58  1  0.231078  0.626399  0.515803  1
  Cu  Cu59  1  0.915651  0.995250  0.482371  1
  Cu  Cu60  1  0.073365  0.310824  0.499087  1
  Cu  Cu61  1  0.204236  0.573155  0.565957  1
  Cu  Cu62  1  0.888795  0.941980  0.532522  1
  Cu  Cu63  1  0.046501  0.257540  0.549237  1
  Cu  Cu64  1  0.888795  0.441980  0.532522  1
  Cu  Cu65  1  0.046501  0.757540  0.549237  1
  Cu  Cu66  1  0.204236  0.073155  0.565957  1
  Cu  Cu67  1  0.388795  0.441980  0.532522  1
  Cu  Cu68  1  0.546501  0.757540  0.549237  1
  Cu  Cu69  1  0.704236  0.073155  0.565957  1
  Cu  Cu70  1  0.704236  0.573155  0.565957  1
  Cu  Cu71  1  0.388795  0.941980  0.532522  1
  Cu  Cu72  1  0.546501  0.257540  0.549237  1
  Cu  Cu73  1  0.677316  0.519764  0.616068  1
  Cu  Cu74  1  0.361909  0.888653  0.582666  1
  Cu  Cu75  1  0.519686  0.204348  0.599411  1
  Cu  Cu76  1  0.361909  0.388653  0.582666  1
  Cu  Cu77  1  0.519686  0.704348  0.599411  1
  Cu  Cu78  1  0.677316  0.019764  0.616068  1
  Cu  Cu79  1  0.861909  0.388653  0.582666  1
  Cu  Cu80  1  0.019686  0.704348  0.599411  1
  Cu  Cu81  1  0.177316  0.019764  0.616068  1
  Cu  Cu82  1  0.177316  0.519764  0.616068  1
  Cu  Cu83  1  0.861909  0.888653  0.582666  1
  Cu  Cu84  1  0.019686  0.204348  0.599411  1
  Cu  Cu85  1  0.150993  0.467555  0.666208  1
  Cu  Cu86  1  0.835140  0.835547  0.632878  1
  Cu  Cu87  1  0.992569  0.150580  0.649493  1
  Cu  Cu88  1  0.835140  0.335547  0.632878  1
  Cu  Cu89  1  0.992569  0.650580  0.649493  1
  Cu  Cu90  1  0.150993  0.967555  0.666208  1
  Cu  Cu91  1  0.335140  0.335547  0.632878  1
  Cu  Cu92  1  0.492569  0.650580  0.649493  1
  Cu  Cu93  1  0.650993  0.967555  0.666208  1
  Cu  Cu94  1  0.650993  0.467555  0.666208  1
  Cu  Cu95  1  0.335140  0.835547  0.632878  1
  Cu  Cu96  1  0.492569  0.150580  0.649493  1
  Cu  Cu97  1  0.622852  0.411579  0.714513  1
  Cu  Cu98  1  0.307793  0.781328  0.682429  1
  Cu  Cu99  1  0.466481  0.098938  0.699617  1
  Cu  Cu100  1  0.307793  0.281328  0.682429  1
  Cu  Cu101  1  0.466481  0.598938  0.699617  1
  Cu  Cu102  1  0.622852  0.911579  0.714513  1
  Cu  Cu103  1  0.807793  0.281328  0.682429  1
  Cu  Cu104  1  0.966481  0.598938  0.699617  1
  Cu  Cu105  1  0.122852  0.911579  0.714513  1
  Cu  Cu106  1  0.122852  0.411579  0.714513  1
  Cu  Cu107  1  0.807793  0.781328  0.682429  1
  Cu  Cu108  1  0.966481  0.098938  0.699617  1
