# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42401071
_cell_length_b   4.90979483
_cell_length_c   48.37003297
_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   Cu40
_cell_volume   1050.64475492
_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  0.171730  0.420342  0.305145  1
  Cu  Cu2  1  0.670874  0.554700  0.284238  1
  Cu  Cu3  1  0.334026  0.920342  0.305145  1
  Cu  Cu4  1  0.834883  0.054700  0.284238  1
  Cu  Cu5  1  0.169872  0.150092  0.350370  1
  Cu  Cu6  1  0.670111  0.284527  0.328140  1
  Cu  Cu7  1  0.335884  0.650092  0.350370  1
  Cu  Cu8  1  0.835646  0.784527  0.328140  1
  Cu  Cu9  1  0.170901  0.879306  0.396079  1
  Cu  Cu10  1  0.670259  0.014697  0.373434  1
  Cu  Cu11  1  0.334855  0.379306  0.396079  1
  Cu  Cu12  1  0.835497  0.514697  0.373434  1
  Cu  Cu13  1  0.171037  0.608077  0.441713  1
  Cu  Cu14  1  0.670995  0.743637  0.418966  1
  Cu  Cu15  1  0.334719  0.108077  0.441713  1
  Cu  Cu16  1  0.834761  0.243637  0.418966  1
  Cu  Cu17  1  0.171032  0.336904  0.487323  1
  Cu  Cu18  1  0.671022  0.472478  0.464545  1
  Cu  Cu19  1  0.334725  0.836904  0.487323  1
  Cu  Cu20  1  0.834735  0.972478  0.464545  1
  Cu  Cu21  1  0.171022  0.065736  0.532920  1
  Cu  Cu22  1  0.671032  0.201310  0.510142  1
  Cu  Cu23  1  0.334735  0.565736  0.532920  1
  Cu  Cu24  1  0.834725  0.701310  0.510142  1
  Cu  Cu25  1  0.170995  0.794578  0.578499  1
  Cu  Cu26  1  0.671037  0.930137  0.555752  1
  Cu  Cu27  1  0.334761  0.294578  0.578499  1
  Cu  Cu28  1  0.834719  0.430137  0.555752  1
  Cu  Cu29  1  0.170259  0.523517  0.624031  1
  Cu  Cu30  1  0.670901  0.658908  0.601386  1
  Cu  Cu31  1  0.335497  0.023517  0.624031  1
  Cu  Cu32  1  0.834855  0.158908  0.601386  1
  Cu  Cu33  1  0.170111  0.253687  0.669324  1
  Cu  Cu34  1  0.669872  0.388122  0.647095  1
  Cu  Cu35  1  0.335646  0.753687  0.669324  1
  Cu  Cu36  1  0.835884  0.888122  0.647095  1
  Cu  Cu37  1  0.170874  0.983514  0.713227  1
  Cu  Cu38  1  0.671730  0.117872  0.692320  1
  Cu  Cu39  1  0.334883  0.483514  0.713227  1
  Cu  Cu40  1  0.834026  0.617872  0.692320  1
