# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89711520
_cell_length_b   3.89711520
_cell_length_c   46.30398978
_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   609.025578042
_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  0.170016  0.585566  0.302434  1
  Cu  Cu2  1  0.503349  0.252233  0.287556  1
  Cu  Cu3  1  0.503349  0.252233  0.337157  1
  Cu  Cu4  1  0.836682  0.918899  0.317330  1
  Cu  Cu5  1  0.836682  0.918899  0.369930  1
  Cu  Cu6  1  0.170016  0.585566  0.353402  1
  Cu  Cu7  1  0.170016  0.585566  0.405240  1
  Cu  Cu8  1  0.503349  0.252233  0.388361  1
  Cu  Cu9  1  0.503349  0.252233  0.440035  1
  Cu  Cu10  1  0.836682  0.918899  0.422299  1
  Cu  Cu11  1  0.836682  0.918899  0.474414  1
  Cu  Cu12  1  0.170016  0.585566  0.457141  1
  Cu  Cu13  1  0.170016  0.585566  0.509023  1
  Cu  Cu14  1  0.503349  0.252233  0.491858  1
  Cu  Cu15  1  0.503349  0.252233  0.543740  1
  Cu  Cu16  1  0.836682  0.918899  0.526467  1
  Cu  Cu17  1  0.836682  0.918899  0.578582  1
  Cu  Cu18  1  0.170016  0.585566  0.560845  1
  Cu  Cu19  1  0.170016  0.585566  0.612519  1
  Cu  Cu20  1  0.503349  0.252233  0.595640  1
  Cu  Cu21  1  0.503349  0.252233  0.647479  1
  Cu  Cu22  1  0.836682  0.918899  0.630951  1
  Cu  Cu23  1  0.836682  0.918899  0.683550  1
  Cu  Cu24  1  0.170016  0.585566  0.663724  1
  Cu  Cu25  1  0.170016  0.585566  0.713324  1
  Cu  Cu26  1  0.503349  0.252233  0.698447  1
