# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44810754
_cell_length_b   8.37003017
_cell_length_c   47.75159590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.43552119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   967.879797172
_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  0.472756  0.562406  0.288405  1
  Cu  Cu2  1  0.080341  0.777105  0.311048  1
  Cu  Cu3  1  0.708517  0.033054  0.307616  1
  Cu  Cu4  1  0.336569  0.288985  0.303757  1
  Cu  Cu5  1  0.940739  0.498005  0.329907  1
  Cu  Cu6  1  0.547197  0.710825  0.354212  1
  Cu  Cu7  1  0.175051  0.966270  0.350410  1
  Cu  Cu8  1  0.802699  0.221368  0.346614  1
  Cu  Cu9  1  0.407905  0.432133  0.372710  1
  Cu  Cu10  1  0.013857  0.644093  0.398011  1
  Cu  Cu11  1  0.641828  0.899837  0.394019  1
  Cu  Cu12  1  0.269769  0.155553  0.390196  1
  Cu  Cu13  1  0.875252  0.366707  0.416148  1
  Cu  Cu14  1  0.480892  0.578126  0.441743  1
  Cu  Cu15  1  0.108934  0.834030  0.437708  1
  Cu  Cu16  1  0.736912  0.089860  0.433814  1
  Cu  Cu17  1  0.342424  0.301005  0.459705  1
  Cu  Cu18  1  0.947981  0.512297  0.485405  1
  Cu  Cu19  1  0.576092  0.768327  0.481379  1
  Cu  Cu20  1  0.204093  0.024220  0.477444  1
  Cu  Cu21  1  0.809564  0.235281  0.503330  1
  Cu  Cu22  1  0.415130  0.446592  0.529029  1
  Cu  Cu23  1  0.043280  0.702686  0.525028  1
  Cu  Cu24  1  0.671289  0.958594  0.521088  1
  Cu  Cu25  1  0.276685  0.169522  0.547006  1
  Cu  Cu26  1  0.882339  0.380979  0.572601  1
  Cu  Cu27  1  0.510556  0.637215  0.568652  1
  Cu  Cu28  1  0.138539  0.893060  0.564748  1
  Cu  Cu29  1  0.743772  0.103719  0.590776  1
  Cu  Cu30  1  0.349645  0.315521  0.616085  1
  Cu  Cu31  1  0.977868  0.571777  0.612214  1
  Cu  Cu32  1  0.606008  0.827901  0.608435  1
  Cu  Cu33  1  0.210924  0.038073  0.634746  1
  Cu  Cu34  1  0.817406  0.251039  0.659255  1
  Cu  Cu35  1  0.445193  0.506381  0.655651  1
  Cu  Cu36  1  0.073078  0.761894  0.651847  1
  Cu  Cu37  1  0.677772  0.971861  0.678246  1
  Cu  Cu38  1  0.286298  0.188885  0.701136  1
  Cu  Cu39  1  0.913148  0.442272  0.698216  1
  Cu  Cu40  1  0.540498  0.696362  0.694343  1
