# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40404428
_cell_length_b   4.84936452
_cell_length_c   48.13818669
_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   1028.07840059
_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  0.170687  0.038038  0.283069  1
  Cu  Cu2  1  0.672239  0.904799  0.303961  1
  Cu  Cu3  1  0.334593  0.538038  0.283069  1
  Cu  Cu4  1  0.833041  0.404799  0.303961  1
  Cu  Cu5  1  0.170688  0.765333  0.327384  1
  Cu  Cu6  1  0.670396  0.630122  0.349402  1
  Cu  Cu7  1  0.334592  0.265333  0.327384  1
  Cu  Cu8  1  0.834884  0.130122  0.349402  1
  Cu  Cu9  1  0.169899  0.492438  0.372551  1
  Cu  Cu10  1  0.670291  0.356452  0.395109  1
  Cu  Cu11  1  0.335381  0.992438  0.372551  1
  Cu  Cu12  1  0.834989  0.856452  0.395109  1
  Cu  Cu13  1  0.170239  0.219423  0.418031  1
  Cu  Cu14  1  0.670346  0.083030  0.440735  1
  Cu  Cu15  1  0.335041  0.719423  0.418031  1
  Cu  Cu16  1  0.834934  0.583030  0.440735  1
  Cu  Cu17  1  0.170312  0.946239  0.463574  1
  Cu  Cu18  1  0.670332  0.809713  0.486323  1
  Cu  Cu19  1  0.334968  0.446239  0.463574  1
  Cu  Cu20  1  0.834948  0.309713  0.486323  1
  Cu  Cu21  1  0.170332  0.672981  0.509142  1
  Cu  Cu22  1  0.670312  0.536456  0.531891  1
  Cu  Cu23  1  0.334948  0.172981  0.509142  1
  Cu  Cu24  1  0.834968  0.036456  0.531891  1
  Cu  Cu25  1  0.170346  0.399664  0.554730  1
  Cu  Cu26  1  0.670239  0.263271  0.577434  1
  Cu  Cu27  1  0.334934  0.899664  0.554730  1
  Cu  Cu28  1  0.835041  0.763271  0.577434  1
  Cu  Cu29  1  0.170291  0.126242  0.600356  1
  Cu  Cu30  1  0.669899  0.990256  0.622914  1
  Cu  Cu31  1  0.334989  0.626242  0.600356  1
  Cu  Cu32  1  0.835381  0.490256  0.622914  1
  Cu  Cu33  1  0.170396  0.852572  0.646063  1
  Cu  Cu34  1  0.670688  0.717361  0.668081  1
  Cu  Cu35  1  0.334884  0.352572  0.646063  1
  Cu  Cu36  1  0.834592  0.217361  0.668081  1
  Cu  Cu37  1  0.172239  0.577895  0.691504  1
  Cu  Cu38  1  0.670687  0.444656  0.712396  1
  Cu  Cu39  1  0.333041  0.077895  0.691504  1
  Cu  Cu40  1  0.834593  0.944656  0.712396  1
