# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13915219
_cell_length_b   6.71064785
_cell_length_c   45.36036139
_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   Cu48
_cell_volume   1259.94721256
_cell_formula_units_Z   48
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  0.752806  0.148314  0.319198  1
  Cu  Cu2  1  0.752806  0.867453  0.283652  1
  Cu  Cu3  1  0.752806  0.502179  0.300170  1
  Cu  Cu4  1  0.252806  0.081480  0.289167  1
  Cu  Cu5  1  0.252806  0.720168  0.306306  1
  Cu  Cu6  1  0.252806  0.365993  0.325016  1
  Cu  Cu7  1  0.752806  0.074925  0.374156  1
  Cu  Cu8  1  0.752806  0.788502  0.337216  1
  Cu  Cu9  1  0.752806  0.433190  0.355625  1
  Cu  Cu10  1  0.252806  0.005012  0.343338  1
  Cu  Cu11  1  0.252806  0.649265  0.361880  1
  Cu  Cu12  1  0.252806  0.291493  0.380335  1
  Cu  Cu13  1  0.752806  1.003130  0.429859  1
  Cu  Cu14  1  0.752806  0.717772  0.392758  1
  Cu  Cu15  1  0.752806  0.360282  0.411234  1
  Cu  Cu16  1  0.252806  0.934402  0.399061  1
  Cu  Cu17  1  0.252806  0.576879  0.417599  1
  Cu  Cu18  1  0.252806  0.219838  0.436169  1
  Cu  Cu19  1  0.752806  0.931295  0.485551  1
  Cu  Cu20  1  0.752806  0.645742  0.448411  1
  Cu  Cu21  1  0.752806  0.288577  0.466968  1
  Cu  Cu22  1  0.252806  0.862457  0.454769  1
  Cu  Cu23  1  0.252806  0.505237  0.473348  1
  Cu  Cu24  1  0.252806  0.148010  0.491909  1
  Cu  Cu25  1  0.752806  0.859602  0.541271  1
  Cu  Cu26  1  0.752806  0.574049  0.504132  1
  Cu  Cu27  1  0.752806  0.216822  0.522692  1
  Cu  Cu28  1  0.252806  0.790763  0.510489  1
  Cu  Cu29  1  0.252806  0.433481  0.529072  1
  Cu  Cu30  1  0.252806  0.076316  0.547630  1
  Cu  Cu31  1  0.752806  0.787657  0.596980  1
  Cu  Cu32  1  0.752806  0.502220  0.559871  1
  Cu  Cu33  1  0.752806  0.145179  0.578441  1
  Cu  Cu34  1  0.252806  0.718929  0.566182  1
  Cu  Cu35  1  0.252806  0.361777  0.584806  1
  Cu  Cu36  1  0.252806  0.004286  0.603282  1
  Cu  Cu37  1  0.752806  0.717046  0.652703  1
  Cu  Cu38  1  0.752806  0.430565  0.615705  1
  Cu  Cu39  1  0.752806  0.072794  0.634160  1
  Cu  Cu40  1  0.252806  0.647134  0.621884  1
  Cu  Cu41  1  0.252806  0.288868  0.640415  1
  Cu  Cu42  1  0.252806  0.933557  0.658825  1
  Cu  Cu43  1  0.752806  0.640578  0.706874  1
  Cu  Cu44  1  0.752806  0.356066  0.671025  1
  Cu  Cu45  1  0.752806  1.001891  0.689734  1
  Cu  Cu46  1  0.252806  0.573745  0.676842  1
  Cu  Cu47  1  0.252806  0.219880  0.695870  1
  Cu  Cu48  1  0.252806  0.854605  0.712388  1
