# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54058959
_cell_length_b   8.66844769
_cell_length_c   47.20497914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.43920967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu40
_cell_volume   1028.33715738
_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  0.842085  0.678034  0.306911  1
  Cu  Cu2  1  0.607627  0.209478  0.285361  1
  Cu  Cu3  1  0.470298  0.934386  0.302889  1
  Cu  Cu4  1  0.234624  0.463196  0.282019  1
  Cu  Cu5  1  0.309228  0.612373  0.352168  1
  Cu  Cu6  1  0.075208  0.144459  0.330044  1
  Cu  Cu7  1  0.937010  0.867865  0.348085  1
  Cu  Cu8  1  0.702886  0.399700  0.326316  1
  Cu  Cu9  1  0.776196  0.546328  0.397889  1
  Cu  Cu10  1  0.542187  0.078355  0.375300  1
  Cu  Cu11  1  0.404006  0.801874  0.393751  1
  Cu  Cu12  1  0.170306  0.334520  0.371492  1
  Cu  Cu13  1  0.243193  0.480329  0.443512  1
  Cu  Cu14  1  0.009426  0.012814  0.420828  1
  Cu  Cu15  1  0.871123  0.736117  0.439415  1
  Cu  Cu16  1  0.637417  0.268727  0.416879  1
  Cu  Cu17  1  0.710276  0.414495  0.489091  1
  Cu  Cu18  1  0.476604  0.947162  0.466393  1
  Cu  Cu19  1  0.338232  0.670336  0.485028  1
  Cu  Cu20  1  0.104570  0.203027  0.462372  1
  Cu  Cu21  1  0.177396  0.348732  0.534636  1
  Cu  Cu22  1  0.943734  0.881422  0.511980  1
  Cu  Cu23  1  0.805362  0.604597  0.530615  1
  Cu  Cu24  1  0.571690  0.137264  0.507916  1
  Cu  Cu25  1  0.644549  0.283031  0.580129  1
  Cu  Cu26  1  0.410843  0.815642  0.557593  1
  Cu  Cu27  1  0.272540  0.538945  0.576180  1
  Cu  Cu28  1  0.038773  0.071430  0.553496  1
  Cu  Cu29  1  0.111660  0.217239  0.625516  1
  Cu  Cu30  1  0.877960  0.749885  0.603257  1
  Cu  Cu31  1  0.739779  0.473403  0.621708  1
  Cu  Cu32  1  0.505770  0.005431  0.599119  1
  Cu  Cu33  1  0.579080  0.152059  0.670692  1
  Cu  Cu34  1  0.344955  0.683894  0.648923  1
  Cu  Cu35  1  0.206758  0.407300  0.666964  1
  Cu  Cu36  1  0.972738  0.939386  0.644840  1
  Cu  Cu37  1  0.047342  0.088563  0.714988  1
  Cu  Cu38  1  0.811668  0.617373  0.694118  1
  Cu  Cu39  1  0.674339  0.342281  0.711647  1
  Cu  Cu40  1  0.439881  0.873724  0.690096  1
