# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40301723
_cell_length_b   5.75170472
_cell_length_c   26.67468282
_cell_angle_alpha   90.00000005
_cell_angle_beta   89.99998958
_cell_angle_gamma   74.58547358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu54
_cell_volume   651.23225064
_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  Cu0  1  0.439271  0.236957  0.500000  1
  Cu  Cu1  1  0.706600  0.865729  0.435384  1
  Cu  Cu2  1  0.706600  0.865729  0.564616  1
  Cu  Cu3  1  0.024025  0.013514  0.500000  1
  Cu  Cu4  1  0.133149  0.571363  0.042508  1
  Cu  Cu5  1  0.133149  0.571363  0.957492  1
  Cu  Cu6  1  0.439799  0.717949  0.104353  1
  Cu  Cu7  1  0.710386  0.357789  0.048205  1
  Cu  Cu8  1  0.997701  0.494587  0.126236  1
  Cu  Cu9  1  0.145968  0.070665  0.841031  1
  Cu  Cu10  1  0.293400  0.134271  0.935384  1
  Cu  Cu11  1  0.560729  0.763043  0.000000  1
  Cu  Cu12  1  0.293400  0.134271  0.064616  1
  Cu  Cu13  1  0.853979  0.934400  0.911623  1
  Cu  Cu14  1  0.975975  0.986486  0.000000  1
  Cu  Cu15  1  0.439799  0.717949  0.895647  1
  Cu  Cu16  1  0.710386  0.357789  0.951795  1
  Cu  Cu17  1  0.866851  0.428637  0.457492  1
  Cu  Cu18  1  0.866851  0.428637  0.542508  1
  Cu  Cu19  1  0.289614  0.642211  0.451795  1
  Cu  Cu20  1  0.560201  0.282051  0.395647  1
  Cu  Cu21  1  0.002299  0.505413  0.373764  1
  Cu  Cu22  1  0.710472  0.356458  0.304893  1
  Cu  Cu23  1  0.855891  0.427114  0.214676  1
  Cu  Cu24  1  0.284022  0.141522  0.321873  1
  Cu  Cu25  1  0.146021  0.065600  0.411623  1
  Cu  Cu26  1  0.144109  0.572886  0.285324  1
  Cu  Cu27  1  0.854032  0.929335  0.341031  1
  Cu  Cu28  1  0.432157  0.713295  0.359857  1
  Cu  Cu29  1  0.571813  0.785342  0.268563  1
  Cu  Cu30  1  0.428187  0.214658  0.231437  1
  Cu  Cu31  1  0.715978  0.858478  0.178127  1
  Cu  Cu32  1  0.145968  0.070665  0.158969  1
  Cu  Cu33  1  0.000000  0.000000  0.250000  1
  Cu  Cu34  1  0.853979  0.934400  0.088377  1
  Cu  Cu35  1  0.289528  0.643542  0.195107  1
  Cu  Cu36  1  0.997701  0.494587  0.873764  1
  Cu  Cu37  1  0.289614  0.642211  0.548205  1
  Cu  Cu38  1  0.560201  0.282051  0.604353  1
  Cu  Cu39  1  0.002299  0.505413  0.626236  1
  Cu  Cu40  1  0.146021  0.065600  0.588377  1
  Cu  Cu41  1  0.284022  0.141522  0.678127  1
  Cu  Cu42  1  0.571813  0.785342  0.731437  1
  Cu  Cu43  1  0.854032  0.929335  0.658969  1
  Cu  Cu44  1  0.432157  0.713295  0.640143  1
  Cu  Cu45  1  0.710472  0.356458  0.695107  1
  Cu  Cu46  1  0.144109  0.572886  0.714676  1
  Cu  Cu47  1  0.289528  0.643542  0.804893  1
  Cu  Cu48  1  0.567843  0.286705  0.859857  1
  Cu  Cu49  1  0.855891  0.427114  0.785324  1
  Cu  Cu50  1  0.000000  0.000000  0.750000  1
  Cu  Cu51  1  0.715978  0.858478  0.821873  1
  Cu  Cu52  1  0.428187  0.214658  0.768563  1
  Cu  Cu53  1  0.567843  0.286705  0.140143  1
