# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39496467
_cell_length_b   8.67400207
_cell_length_c   49.07917698
_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   Cu72
_cell_volume   1870.99307989
_cell_formula_units_Z   72
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  0.004912  0.530777  0.275162  1
  Cu  Cu2  1  0.502416  0.484732  0.298002  1
  Cu  Cu3  1  0.342022  0.213982  0.309625  1
  Cu  Cu4  1  0.841284  0.259066  0.286459  1
  Cu  Cu5  1  1.003065  0.985029  0.297701  1
  Cu  Cu6  1  0.504532  0.945196  0.322217  1
  Cu  Cu7  1  0.164857  0.715959  0.310564  1
  Cu  Cu8  1  0.661372  0.756255  0.286134  1
  Cu  Cu9  1  0.004101  0.443030  0.323363  1
  Cu  Cu10  1  0.504036  0.399354  0.347539  1
  Cu  Cu11  1  0.341308  0.129096  0.359850  1
  Cu  Cu12  1  0.842828  0.171602  0.335208  1
  Cu  Cu13  1  1.003192  0.900884  0.347426  1
  Cu  Cu14  1  0.503494  0.858017  0.372344  1
  Cu  Cu15  1  0.167179  0.629248  0.360190  1
  Cu  Cu16  1  0.666058  0.671571  0.335082  1
  Cu  Cu17  1  0.004304  0.357223  0.372851  1
  Cu  Cu18  1  0.503946  0.314486  0.397699  1
  Cu  Cu19  1  0.340827  0.043309  0.410106  1
  Cu  Cu20  1  0.840922  0.086018  0.385121  1
  Cu  Cu21  1  1.003452  0.814882  0.397587  1
  Cu  Cu22  1  0.503646  0.772080  0.422623  1
  Cu  Cu23  1  0.166853  0.543379  0.410256  1
  Cu  Cu24  1  0.666774  0.586023  0.385110  1
  Cu  Cu25  1  0.003865  0.271744  0.422820  1
  Cu  Cu26  1  0.503726  0.229002  0.447818  1
  Cu  Cu27  1  0.340746  0.957710  0.460294  1
  Cu  Cu28  1  0.840755  1.000489  0.435249  1
  Cu  Cu29  1  1.003622  0.729223  0.447758  1
  Cu  Cu30  1  0.503665  0.686406  0.472810  1
  Cu  Cu31  1  0.166749  0.457719  0.460351  1
  Cu  Cu32  1  0.666764  0.500522  0.435260  1
  Cu  Cu33  1  0.003703  0.186210  0.472906  1
  Cu  Cu34  1  0.503654  0.143422  0.497949  1
  Cu  Cu35  1  0.340723  0.872103  0.510455  1
  Cu  Cu36  1  0.840723  0.914902  0.485398  1
  Cu  Cu37  1  1.003654  0.643583  0.497904  1
  Cu  Cu38  1  0.503703  0.600795  0.522948  1
  Cu  Cu39  1  0.166719  0.372098  0.510466  1
  Cu  Cu40  1  0.666719  0.414907  0.485387  1
  Cu  Cu41  1  1.003665  0.100599  0.523043  1
  Cu  Cu42  1  0.503622  0.057782  0.548095  1
  Cu  Cu43  1  0.340755  0.786516  0.560604  1
  Cu  Cu44  1  0.840746  0.829295  0.535559  1
  Cu  Cu45  1  0.003726  0.558003  0.548035  1
  Cu  Cu46  1  0.503865  0.515261  0.573033  1
  Cu  Cu47  1  0.166764  0.286483  0.560593  1
  Cu  Cu48  1  0.666749  0.329286  0.535503  1
  Cu  Cu49  1  1.003646  0.014925  0.573231  1
  Cu  Cu50  1  0.503452  0.972123  0.598266  1
  Cu  Cu51  1  0.340922  0.700987  0.610733  1
  Cu  Cu52  1  0.840827  0.743696  0.585747  1
  Cu  Cu53  1  0.003946  0.472519  0.598154  1
  Cu  Cu54  1  0.504304  0.429782  0.623002  1
  Cu  Cu55  1  0.166774  0.200982  0.610743  1
  Cu  Cu56  1  0.666853  0.243626  0.585597  1
  Cu  Cu57  1  1.003494  0.928988  0.623510  1
  Cu  Cu58  1  0.503192  0.886121  0.648427  1
  Cu  Cu59  1  0.342828  0.615403  0.660645  1
  Cu  Cu60  1  0.841308  0.657909  0.636003  1
  Cu  Cu61  1  0.004036  0.387651  0.648315  1
  Cu  Cu62  1  0.504101  0.343975  0.672490  1
  Cu  Cu63  1  0.166058  0.115434  0.660772  1
  Cu  Cu64  1  0.667179  0.157757  0.635663  1
  Cu  Cu65  1  0.004532  0.841809  0.673636  1
  Cu  Cu66  1  0.503065  0.801976  0.698152  1
  Cu  Cu67  1  0.341284  0.527939  0.709394  1
  Cu  Cu68  1  0.842022  0.573023  0.686228  1
  Cu  Cu69  1  1.002416  0.302273  0.697851  1
  Cu  Cu70  1  0.504912  0.256227  0.720692  1
  Cu  Cu71  1  0.161372  0.030750  0.709719  1
  Cu  Cu72  1  0.664857  0.071046  0.685290  1
