# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54800219
_cell_length_b   8.57706927
_cell_length_c   47.27329784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.48200343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1021.73310127
_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  0.166489  0.671353  0.306502  1
  Cu  Cu2  1  0.400840  0.201950  0.284213  1
  Cu  Cu3  1  0.538911  0.926655  0.301589  1
  Cu  Cu4  1  0.772444  0.459272  0.280893  1
  Cu  Cu5  1  0.700017  0.604155  0.351904  1
  Cu  Cu6  1  0.933499  0.136972  0.329586  1
  Cu  Cu7  1  0.072023  0.860248  0.347738  1
  Cu  Cu8  1  0.306067  0.392033  0.325904  1
  Cu  Cu9  1  0.233638  0.536824  0.397462  1
  Cu  Cu10  1  0.467200  0.069657  0.374784  1
  Cu  Cu11  1  0.605889  0.792424  0.393331  1
  Cu  Cu12  1  0.839145  0.325863  0.371062  1
  Cu  Cu13  1  0.767319  0.469397  0.442970  1
  Cu  Cu14  1  0.000744  1.002553  0.420241  1
  Cu  Cu15  1  0.139465  0.725205  0.438936  1
  Cu  Cu16  1  0.372800  0.258526  0.416396  1
  Cu  Cu17  1  0.300924  0.402136  0.488456  1
  Cu  Cu18  1  0.534248  0.935502  0.465741  1
  Cu  Cu19  1  0.673045  0.657988  0.484480  1
  Cu  Cu20  1  0.906354  0.191381  0.461818  1
  Cu  Cu21  1  0.834495  0.334949  0.533919  1
  Cu  Cu22  1  0.067804  0.868342  0.511258  1
  Cu  Cu23  1  0.206600  0.590828  0.529996  1
  Cu  Cu24  1  0.439924  0.124194  0.507282  1
  Cu  Cu25  1  0.368049  0.267804  0.579341  1
  Cu  Cu26  1  0.601384  0.801125  0.556802  1
  Cu  Cu27  1  0.740105  0.523778  0.575497  1
  Cu  Cu28  1  0.973529  0.056933  0.552767  1
  Cu  Cu29  1  0.901704  0.200467  0.624675  1
  Cu  Cu30  1  0.134960  0.733906  0.602406  1
  Cu  Cu31  1  0.273649  0.456673  0.620954  1
  Cu  Cu32  1  0.507211  0.989506  0.598276  1
  Cu  Cu33  1  0.434782  0.134297  0.669833  1
  Cu  Cu34  1  0.668826  0.666082  0.647999  1
  Cu  Cu35  1  0.807350  0.389358  0.666152  1
  Cu  Cu36  1  0.040831  0.922175  0.643833  1
  Cu  Cu37  1  0.968405  0.067058  0.714845  1
  Cu  Cu38  1  0.201937  0.599675  0.694148  1
  Cu  Cu39  1  0.340009  0.324380  0.711525  1
  Cu  Cu40  1  0.574359  0.854977  0.689236  1
