# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23941066
_cell_length_b   6.70478547
_cell_length_c   50.06059543
_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   1422.93933405
_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  0.250649  0.108379  0.313215  1
  Cu  Cu2  1  0.250649  0.828948  0.281210  1
  Cu  Cu3  1  0.250649  0.464396  0.296740  1
  Cu  Cu4  1  0.750649  0.040814  0.286421  1
  Cu  Cu5  1  0.750649  0.683954  0.301708  1
  Cu  Cu6  1  0.750649  0.328523  0.318687  1
  Cu  Cu7  1  0.250649  0.037272  0.363057  1
  Cu  Cu8  1  0.250649  0.750630  0.329445  1
  Cu  Cu9  1  0.250649  0.394561  0.346235  1
  Cu  Cu10  1  0.750649  0.967901  0.335097  1
  Cu  Cu11  1  0.750649  0.610759  0.351830  1
  Cu  Cu12  1  0.750649  0.253198  0.368589  1
  Cu  Cu13  1  0.250649  0.965950  0.413064  1
  Cu  Cu14  1  0.250649  0.680236  0.379648  1
  Cu  Cu15  1  0.250649  0.323190  0.396354  1
  Cu  Cu16  1  0.750649  0.895882  0.385299  1
  Cu  Cu17  1  0.750649  0.538729  0.401985  1
  Cu  Cu18  1  0.750649  0.181503  0.418689  1
  Cu  Cu19  1  0.250649  0.894533  0.463130  1
  Cu  Cu20  1  0.250649  0.608827  0.429734  1
  Cu  Cu21  1  0.250649  0.251695  0.446433  1
  Cu  Cu22  1  0.750649  0.824308  0.435396  1
  Cu  Cu23  1  0.750649  0.467156  0.452086  1
  Cu  Cu24  1  0.750649  0.110005  0.468786  1
  Cu  Cu25  1  0.250649  0.823104  0.513212  1
  Cu  Cu26  1  0.250649  0.537391  0.479820  1
  Cu  Cu27  1  0.250649  0.180250  0.496517  1
  Cu  Cu28  1  0.750649  0.752849  0.485483  1
  Cu  Cu29  1  0.750649  0.395702  0.502178  1
  Cu  Cu30  1  0.750649  0.038561  0.518875  1
  Cu  Cu31  1  0.250649  0.751645  0.563300  1
  Cu  Cu32  1  0.250649  0.465947  0.529909  1
  Cu  Cu33  1  0.250649  0.108796  0.546609  1
  Cu  Cu34  1  0.750649  0.681419  0.535565  1
  Cu  Cu35  1  0.750649  0.324257  0.552262  1
  Cu  Cu36  1  0.750649  0.967125  0.568961  1
  Cu  Cu37  1  0.250649  0.680070  0.613397  1
  Cu  Cu38  1  0.250649  0.394449  0.580006  1
  Cu  Cu39  1  0.250649  0.037223  0.596710  1
  Cu  Cu40  1  0.750649  0.610003  0.585631  1
  Cu  Cu41  1  0.750649  0.252762  0.602341  1
  Cu  Cu42  1  0.750649  0.895716  0.619047  1
  Cu  Cu43  1  0.250649  0.608051  0.663598  1
  Cu  Cu44  1  0.250649  0.322754  0.630106  1
  Cu  Cu45  1  0.250649  0.965193  0.646865  1
  Cu  Cu46  1  0.750649  0.538680  0.635638  1
  Cu  Cu47  1  0.750649  0.181391  0.652460  1
  Cu  Cu48  1  0.750649  0.825322  0.669250  1
  Cu  Cu49  1  0.250649  0.535138  0.712274  1
  Cu  Cu50  1  0.250649  0.247429  0.680008  1
  Cu  Cu51  1  0.250649  0.891998  0.696987  1
  Cu  Cu52  1  0.750649  0.467573  0.685480  1
  Cu  Cu53  1  0.750649  0.111557  0.701955  1
  Cu  Cu54  1  0.750649  0.747004  0.717485  1
