# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39488014
_cell_length_b   8.67344201
_cell_length_c   49.08967982
_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   Cu72
_cell_volume   1871.23664722
_cell_formula_units_Z   72
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  0.007519  0.520033  0.280957  1
  Cu  Cu2  1  0.504901  0.472831  0.303768  1
  Cu  Cu3  1  0.341466  0.205679  0.316303  1
  Cu  Cu4  1  0.847466  0.245913  0.291614  1
  Cu  Cu5  1  1.002478  0.972831  0.303768  1
  Cu  Cu6  1  0.499860  0.020033  0.280957  1
  Cu  Cu7  1  0.165912  0.705679  0.316303  1
  Cu  Cu8  1  0.659912  0.745913  0.291614  1
  Cu  Cu9  1  0.003740  0.432574  0.329225  1
  Cu  Cu10  1  0.504446  0.389715  0.353751  1
  Cu  Cu11  1  0.340315  0.118691  0.366192  1
  Cu  Cu12  1  0.840934  0.160537  0.340966  1
  Cu  Cu13  1  1.002932  0.889715  0.353751  1
  Cu  Cu14  1  0.503639  0.932574  0.329225  1
  Cu  Cu15  1  0.167064  0.618691  0.366192  1
  Cu  Cu16  1  0.666444  0.660537  0.340966  1
  Cu  Cu17  1  0.003924  0.346556  0.378842  1
  Cu  Cu18  1  0.503822  0.304090  0.403861  1
  Cu  Cu19  1  0.340456  0.032730  0.416344  1
  Cu  Cu20  1  0.840240  0.075480  0.391243  1
  Cu  Cu21  1  1.003556  0.804090  0.403861  1
  Cu  Cu22  1  0.503455  0.846556  0.378842  1
  Cu  Cu23  1  0.166923  0.532730  0.416344  1
  Cu  Cu24  1  0.667138  0.575480  0.391243  1
  Cu  Cu25  1  0.003702  0.261225  0.428917  1
  Cu  Cu26  1  0.503665  0.218478  0.453971  1
  Cu  Cu27  1  0.340633  0.947103  0.466488  1
  Cu  Cu28  1  0.840538  0.989914  0.441417  1
  Cu  Cu29  1  0.003713  0.718478  0.453971  1
  Cu  Cu30  1  0.503677  0.761225  0.428917  1
  Cu  Cu31  1  0.166745  0.447103  0.466488  1
  Cu  Cu32  1  0.666841  0.489914  0.441417  1
  Cu  Cu33  1  1.003649  0.175674  0.479035  1
  Cu  Cu34  1  0.503636  0.132875  0.504098  1
  Cu  Cu35  1  0.340755  0.861492  0.516621  1
  Cu  Cu36  1  0.840698  0.904295  0.491556  1
  Cu  Cu37  1  0.003742  0.632875  0.504098  1
  Cu  Cu38  1  0.503729  0.675674  0.479035  1
  Cu  Cu39  1  0.166623  0.361492  0.516621  1
  Cu  Cu40  1  0.666680  0.404295  0.491556  1
  Cu  Cu41  1  1.003615  0.090065  0.529166  1
  Cu  Cu42  1  0.503572  0.047261  0.554237  1
  Cu  Cu43  1  0.340909  0.775919  0.566744  1
  Cu  Cu44  1  0.840816  0.818686  0.541685  1
  Cu  Cu45  1  0.003806  0.547261  0.554237  1
  Cu  Cu46  1  0.503764  0.590065  0.529166  1
  Cu  Cu47  1  0.166470  0.275919  0.566744  1
  Cu  Cu48  1  0.666563  0.318686  0.541685  1
  Cu  Cu49  1  1.003507  0.004404  0.579311  1
  Cu  Cu50  1  0.503378  0.961735  0.604408  1
  Cu  Cu51  1  0.341342  0.690466  0.616827  1
  Cu  Cu52  1  0.840968  0.733065  0.591807  1
  Cu  Cu53  1  0.004001  0.461735  0.604408  1
  Cu  Cu54  1  0.503872  0.504404  0.579311  1
  Cu  Cu55  1  0.166036  0.190466  0.616827  1
  Cu  Cu56  1  0.666411  0.233065  0.591807  1
  Cu  Cu57  1  1.003176  0.918287  0.629478  1
  Cu  Cu58  1  0.503689  0.876545  0.654619  1
  Cu  Cu59  1  0.342978  0.604477  0.666468  1
  Cu  Cu60  1  0.841131  0.647395  0.641955  1
  Cu  Cu61  1  1.003689  0.376545  0.654619  1
  Cu  Cu62  1  0.504203  0.418287  0.629478  1
  Cu  Cu63  1  0.164401  0.104477  0.666468  1
  Cu  Cu64  1  0.666247  0.147395  0.641955  1
  Cu  Cu65  1  0.004078  0.831324  0.679477  1
  Cu  Cu66  1  0.504699  0.790412  0.703903  1
  Cu  Cu67  1  0.339109  0.518364  0.714789  1
  Cu  Cu68  1  0.842334  0.562919  0.691860  1
  Cu  Cu69  1  1.002680  0.290412  0.703903  1
  Cu  Cu70  1  0.503300  0.331324  0.679477  1
  Cu  Cu71  1  0.168269  0.018364  0.714789  1
  Cu  Cu72  1  0.665045  0.062919  0.691860  1
