# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41250242
_cell_length_b   4.80088356
_cell_length_c   48.15756654
_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   Cu40
_cell_volume   1020.16556956
_cell_formula_units_Z   40
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  0.164810  0.012654  0.281411  1
  Cu  Cu2  1  0.669600  0.883287  0.302668  1
  Cu  Cu3  1  0.339369  0.512654  0.281411  1
  Cu  Cu4  1  0.834579  0.383287  0.302668  1
  Cu  Cu5  1  0.169823  0.740360  0.326479  1
  Cu  Cu6  1  0.669871  0.602846  0.348452  1
  Cu  Cu7  1  0.334356  0.240360  0.326479  1
  Cu  Cu8  1  0.834308  0.102846  0.348452  1
  Cu  Cu9  1  0.169190  0.462663  0.371532  1
  Cu  Cu10  1  0.669539  0.324126  0.394077  1
  Cu  Cu11  1  0.334988  0.962663  0.371532  1
  Cu  Cu12  1  0.834640  0.824126  0.394077  1
  Cu  Cu13  1  0.169391  0.184861  0.416948  1
  Cu  Cu14  1  0.669508  0.046130  0.439640  1
  Cu  Cu15  1  0.334788  0.684861  0.416948  1
  Cu  Cu16  1  0.834671  0.546130  0.439640  1
  Cu  Cu17  1  0.169465  0.907113  0.462437  1
  Cu  Cu18  1  0.669488  0.768284  0.485168  1
  Cu  Cu19  1  0.334713  0.407113  0.462437  1
  Cu  Cu20  1  0.834690  0.268284  0.485168  1
  Cu  Cu21  1  0.169488  0.629316  0.507947  1
  Cu  Cu22  1  0.669465  0.490486  0.530678  1
  Cu  Cu23  1  0.334690  0.129316  0.507947  1
  Cu  Cu24  1  0.834713  0.990486  0.530678  1
  Cu  Cu25  1  0.169508  0.351469  0.553475  1
  Cu  Cu26  1  0.669391  0.212738  0.576167  1
  Cu  Cu27  1  0.334671  0.851469  0.553475  1
  Cu  Cu28  1  0.834788  0.712738  0.576167  1
  Cu  Cu29  1  0.169539  0.073473  0.599038  1
  Cu  Cu30  1  0.669190  0.934936  0.621583  1
  Cu  Cu31  1  0.334640  0.573473  0.599038  1
  Cu  Cu32  1  0.834988  0.434936  0.621583  1
  Cu  Cu33  1  0.169871  0.794753  0.644663  1
  Cu  Cu34  1  0.669823  0.657240  0.666636  1
  Cu  Cu35  1  0.334308  0.294753  0.644663  1
  Cu  Cu36  1  0.834356  0.157240  0.666636  1
  Cu  Cu37  1  0.169600  0.514312  0.690447  1
  Cu  Cu38  1  0.664810  0.384945  0.711704  1
  Cu  Cu39  1  0.334579  0.014312  0.690447  1
  Cu  Cu40  1  0.839369  0.884945  0.711704  1
