# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24325072
_cell_length_b   6.67320640
_cell_length_c   50.26980123
_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   Cu54
_cell_volume   1423.44410935
_cell_formula_units_Z   54
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  0.253010  0.114302  0.311532  1
  Cu  Cu2  1  0.253010  0.835441  0.279710  1
  Cu  Cu3  1  0.253010  0.465247  0.293839  1
  Cu  Cu4  1  0.753010  0.050149  0.284371  1
  Cu  Cu5  1  0.753010  0.684154  0.299221  1
  Cu  Cu6  1  0.753010  0.332613  0.316498  1
  Cu  Cu7  1  0.253010  0.040032  0.360754  1
  Cu  Cu8  1  0.253010  0.752817  0.327749  1
  Cu  Cu9  1  0.253010  0.399010  0.344237  1
  Cu  Cu10  1  0.753010  0.969381  0.333067  1
  Cu  Cu11  1  0.753010  0.615468  0.349679  1
  Cu  Cu12  1  0.753010  0.256990  0.366191  1
  Cu  Cu13  1  0.253010  0.968247  0.410876  1
  Cu  Cu14  1  0.253010  0.683095  0.377600  1
  Cu  Cu15  1  0.253010  0.325174  0.394103  1
  Cu  Cu16  1  0.753010  0.900197  0.383181  1
  Cu  Cu17  1  0.753010  0.542273  0.399771  1
  Cu  Cu18  1  0.753010  0.185473  0.416506  1
  Cu  Cu19  1  0.253010  0.896167  0.460929  1
  Cu  Cu20  1  0.253010  0.610613  0.427547  1
  Cu  Cu21  1  0.253010  0.253510  0.444227  1
  Cu  Cu22  1  0.753010  0.827849  0.433252  1
  Cu  Cu23  1  0.753010  0.470697  0.449957  1
  Cu  Cu24  1  0.753010  0.113417  0.466649  1
  Cu  Cu25  1  0.253010  0.824414  0.511030  1
  Cu  Cu26  1  0.253010  0.538917  0.477638  1
  Cu  Cu27  1  0.253010  0.181679  0.494325  1
  Cu  Cu28  1  0.753010  0.756154  0.483373  1
  Cu  Cu29  1  0.753010  0.398889  0.500078  1
  Cu  Cu30  1  0.753010  0.041651  0.516766  1
  Cu  Cu31  1  0.253010  0.752719  0.561151  1
  Cu  Cu32  1  0.253010  0.467151  0.527754  1
  Cu  Cu33  1  0.253010  0.109871  0.544446  1
  Cu  Cu34  1  0.753010  0.684401  0.533474  1
  Cu  Cu35  1  0.753010  0.327058  0.550176  1
  Cu  Cu36  1  0.753010  0.969955  0.566856  1
  Cu  Cu37  1  0.253010  0.680371  0.611222  1
  Cu  Cu38  1  0.253010  0.395095  0.577897  1
  Cu  Cu39  1  0.253010  0.038295  0.594632  1
  Cu  Cu40  1  0.753010  0.612321  0.583527  1
  Cu  Cu41  1  0.753010  0.255394  0.600300  1
  Cu  Cu42  1  0.753010  0.897473  0.616803  1
  Cu  Cu43  1  0.253010  0.611187  0.661336  1
  Cu  Cu44  1  0.253010  0.323578  0.628212  1
  Cu  Cu45  1  0.253010  0.965101  0.644724  1
  Cu  Cu46  1  0.753010  0.540536  0.633649  1
  Cu  Cu47  1  0.753010  0.181558  0.650166  1
  Cu  Cu48  1  0.753010  0.827751  0.666654  1
  Cu  Cu49  1  0.253010  0.530419  0.710032  1
  Cu  Cu50  1  0.253010  0.247955  0.677905  1
  Cu  Cu51  1  0.253010  0.896414  0.695182  1
  Cu  Cu52  1  0.753010  0.466267  0.682872  1
  Cu  Cu53  1  0.753010  0.115321  0.700564  1
  Cu  Cu54  1  0.753010  0.745127  0.714693  1
