# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06243002
_cell_length_b   6.33776156
_cell_length_c   47.89177074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu44
_cell_volume   1169.77931744
_cell_formula_units_Z   44
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  0.792121  0.469278  0.294417  1
  Cu  Cu2  1  1.000077  0.894376  0.314012  1
  Cu  Cu3  1  0.178685  0.240143  0.286413  1
  Cu  Cu4  1  0.395975  0.680737  0.303548  1
  Cu  Cu5  1  0.215982  0.345731  0.334612  1
  Cu  Cu6  1  0.427826  0.788625  0.353115  1
  Cu  Cu7  1  0.610780  0.121960  0.321330  1
  Cu  Cu8  1  0.820903  0.565123  0.344111  1
  Cu  Cu9  1  0.635836  0.226023  0.372627  1
  Cu  Cu10  1  0.844373  0.671675  0.393965  1
  Cu  Cu11  1  0.030637  1.005534  0.363574  1
  Cu  Cu12  1  0.240616  0.450870  0.384034  1
  Cu  Cu13  1  0.051713  0.112094  0.413733  1
  Cu  Cu14  1  0.259741  0.555573  0.433993  1
  Cu  Cu15  1  0.448569  0.892381  0.403478  1
  Cu  Cu16  1  0.656005  0.333268  0.423360  1
  Cu  Cu17  1  0.466980  0.997534  0.453743  1
  Cu  Cu18  1  0.673954  0.439189  0.473870  1
  Cu  Cu19  1  0.863159  0.776543  0.444053  1
  Cu  Cu20  1  0.070104  0.217836  0.463923  1
  Cu  Cu21  1  0.880901  0.881600  0.494215  1
  Cu  Cu22  1  0.087867  0.323320  0.514087  1
  Cu  Cu23  1  0.277654  0.660876  0.484091  1
  Cu  Cu24  1  0.484620  0.102596  0.503963  1
  Cu  Cu25  1  0.295417  0.766360  0.534255  1
  Cu  Cu26  1  0.502362  0.207653  0.554125  1
  Cu  Cu27  1  0.691567  0.545007  0.524308  1
  Cu  Cu28  1  0.898540  0.986661  0.544435  1
  Cu  Cu29  1  0.709516  0.650927  0.574818  1
  Cu  Cu30  1  0.916951  0.091815  0.594700  1
  Cu  Cu31  1  0.105780  0.428622  0.564184  1
  Cu  Cu32  1  0.313808  0.872102  0.584445  1
  Cu  Cu33  1  0.124905  0.533326  0.614144  1
  Cu  Cu34  1  0.334883  0.978662  0.634604  1
  Cu  Cu35  1  0.521147  0.312521  0.604213  1
  Cu  Cu36  1  0.729684  0.758173  0.625551  1
  Cu  Cu37  1  0.544618  0.419073  0.654067  1
  Cu  Cu38  1  0.754740  0.862235  0.676848  1
  Cu  Cu39  1  0.937695  0.195571  0.645063  1
  Cu  Cu40  1  0.149538  0.638465  0.663566  1
  Cu  Cu41  1  0.969545  0.303458  0.694630  1
  Cu  Cu42  1  0.186836  0.744053  0.711765  1
  Cu  Cu43  1  0.365443  0.089820  0.684166  1
  Cu  Cu44  1  0.573399  0.514918  0.703760  1
