# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56479320
_cell_length_b   13.02029186
_cell_length_c   48.41159480
_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   Cu84
_cell_volume   2247.00712336
_cell_formula_units_Z   84
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  0.507032  0.619267  0.290121  1
  Cu  Cu2  1  0.507032  0.234480  0.309835  1
  Cu  Cu3  1  0.507032  0.848594  0.329484  1
  Cu  Cu4  1  1.007032  0.349696  0.330639  1
  Cu  Cu5  1  1.007032  0.120174  0.289590  1
  Cu  Cu6  1  1.007032  0.735090  0.309093  1
  Cu  Cu7  1  1.007032  0.541320  0.319638  1
  Cu  Cu8  1  1.007032  0.311730  0.280289  1
  Cu  Cu9  1  1.007032  0.927493  0.299399  1
  Cu  Cu10  1  0.507032  0.427833  0.299086  1
  Cu  Cu11  1  0.507032  0.041666  0.319633  1
  Cu  Cu12  1  0.507032  0.657064  0.340615  1
  Cu  Cu13  1  0.507032  0.464828  0.350854  1
  Cu  Cu14  1  0.507032  0.079330  0.371625  1
  Cu  Cu15  1  0.507032  0.694827  0.392506  1
  Cu  Cu16  1  1.007032  0.194582  0.392728  1
  Cu  Cu17  1  1.007032  0.964208  0.350631  1
  Cu  Cu18  1  1.007032  0.579691  0.371629  1
  Cu  Cu19  1  1.007032  0.387415  0.382387  1
  Cu  Cu20  1  1.007032  0.156891  0.340652  1
  Cu  Cu21  1  1.007032  0.772158  0.360925  1
  Cu  Cu22  1  0.507032  0.272118  0.361543  1
  Cu  Cu23  1  0.507032  0.886878  0.381765  1
  Cu  Cu24  1  0.507032  0.502388  0.403069  1
  Cu  Cu25  1  0.507032  0.309749  0.413657  1
  Cu  Cu26  1  0.507032  0.924602  0.434196  1
  Cu  Cu27  1  0.507032  0.539799  0.455261  1
  Cu  Cu28  1  1.007032  0.039629  0.455215  1
  Cu  Cu29  1  1.007032  0.809722  0.413267  1
  Cu  Cu30  1  1.007032  0.424823  0.434484  1
  Cu  Cu31  1  1.007032  0.232169  0.444919  1
  Cu  Cu32  1  1.007032  0.001960  0.402888  1
  Cu  Cu33  1  1.007032  0.617295  0.423871  1
  Cu  Cu34  1  0.507032  0.117059  0.423928  1
  Cu  Cu35  1  0.507032  0.732282  0.444711  1
  Cu  Cu36  1  0.507032  0.347238  0.465813  1
  Cu  Cu37  1  0.507032  0.154673  0.476207  1
  Cu  Cu38  1  0.507032  0.769793  0.496940  1
  Cu  Cu39  1  0.507032  0.384722  0.517999  1
  Cu  Cu40  1  1.007032  0.884826  0.517869  1
  Cu  Cu41  1  1.007032  0.654777  0.476077  1
  Cu  Cu42  1  1.007032  0.269706  0.497136  1
  Cu  Cu43  1  1.007032  0.077260  0.507537  1
  Cu  Cu44  1  1.007032  0.847250  0.465581  1
  Cu  Cu45  1  1.007032  0.462255  0.486639  1
  Cu  Cu46  1  0.507032  0.962239  0.486539  1
  Cu  Cu47  1  0.507032  0.577243  0.507437  1
  Cu  Cu48  1  0.507032  0.192249  0.528494  1
  Cu  Cu49  1  0.507032  0.999870  0.538861  1
  Cu  Cu50  1  0.507032  0.614676  0.559592  1
  Cu  Cu51  1  0.507032  0.229776  0.580809  1
  Cu  Cu52  1  1.007032  0.729750  0.580419  1
  Cu  Cu53  1  1.007032  0.499700  0.538815  1
  Cu  Cu54  1  1.007032  0.114897  0.559880  1
  Cu  Cu55  1  1.007032  0.922440  0.570147  1
  Cu  Cu56  1  1.007032  0.692261  0.528263  1
  Cu  Cu57  1  1.007032  0.307217  0.549365  1
  Cu  Cu58  1  0.507032  0.807330  0.549157  1
  Cu  Cu59  1  0.507032  0.422204  0.570205  1
  Cu  Cu60  1  0.507032  0.037539  0.591188  1
  Cu  Cu61  1  0.507032  0.844917  0.601348  1
  Cu  Cu62  1  0.507032  0.459808  0.622447  1
  Cu  Cu63  1  0.507032  0.075291  0.643445  1
  Cu  Cu64  1  1.007032  0.574671  0.643222  1
  Cu  Cu65  1  1.007032  0.344672  0.601570  1
  Cu  Cu66  1  1.007032  0.960168  0.622451  1
  Cu  Cu67  1  1.007032  0.767380  0.632532  1
  Cu  Cu68  1  1.007032  0.537110  0.591007  1
  Cu  Cu69  1  1.007032  0.152621  0.612311  1
  Cu  Cu70  1  0.507032  0.652083  0.611688  1
  Cu  Cu71  1  0.507032  0.267341  0.633151  1
  Cu  Cu72  1  0.507032  0.882608  0.653424  1
  Cu  Cu73  1  0.507032  0.689803  0.663436  1
  Cu  Cu74  1  0.507032  0.304409  0.684983  1
  Cu  Cu75  1  0.507032  0.919325  0.704486  1
  Cu  Cu76  1  1.007032  0.420232  0.703955  1
  Cu  Cu77  1  1.007032  0.190905  0.664592  1
  Cu  Cu78  1  1.007032  0.805018  0.684240  1
  Cu  Cu79  1  1.007032  0.611666  0.694990  1
  Cu  Cu80  1  1.007032  0.382434  0.653460  1
  Cu  Cu81  1  1.007032  0.997833  0.674443  1
  Cu  Cu82  1  0.507032  0.498179  0.674438  1
  Cu  Cu83  1  0.507032  0.112006  0.694677  1
  Cu  Cu84  1  0.507032  0.727769  0.713787  1
