# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04370675
_cell_length_b   4.04370675
_cell_length_c   47.97340759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu26
_cell_volume   679.345192743
_cell_formula_units_Z   26
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  0.169011  0.584896  0.302787  1
  Cu  Cu2  1  0.502344  0.251563  0.286765  1
  Cu  Cu3  1  0.502344  0.251563  0.337073  1
  Cu  Cu4  1  0.835678  0.918230  0.317749  1
  Cu  Cu5  1  0.835678  0.918230  0.370230  1
  Cu  Cu6  1  0.169011  0.584896  0.353790  1
  Cu  Cu7  1  0.169011  0.584896  0.405502  1
  Cu  Cu8  1  0.502344  0.251563  0.388436  1
  Cu  Cu9  1  0.502344  0.251563  0.440128  1
  Cu  Cu10  1  0.835678  0.918230  0.422487  1
  Cu  Cu11  1  0.835678  0.918230  0.474531  1
  Cu  Cu12  1  0.169011  0.584896  0.457310  1
  Cu  Cu13  1  0.169011  0.584896  0.509132  1
  Cu  Cu14  1  0.502344  0.251563  0.491920  1
  Cu  Cu15  1  0.502344  0.251563  0.543742  1
  Cu  Cu16  1  0.835678  0.918230  0.526522  1
  Cu  Cu17  1  0.835678  0.918230  0.578566  1
  Cu  Cu18  1  0.169011  0.584896  0.560924  1
  Cu  Cu19  1  0.169011  0.584896  0.612616  1
  Cu  Cu20  1  0.502344  0.251563  0.595550  1
  Cu  Cu21  1  0.502344  0.251563  0.647263  1
  Cu  Cu22  1  0.835678  0.918230  0.630822  1
  Cu  Cu23  1  0.835678  0.918230  0.683304  1
  Cu  Cu24  1  0.169011  0.584896  0.663979  1
  Cu  Cu25  1  0.169011  0.584896  0.714287  1
  Cu  Cu26  1  0.502344  0.251563  0.698265  1
