# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56826862
_cell_length_b   5.12232027
_cell_length_c   46.28198319
_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   Cu32
_cell_volume   845.933512473
_cell_formula_units_Z   32
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  0.506510  0.873992  0.289127  1
  Cu  Cu2  1  0.006510  0.123992  0.316294  1
  Cu  Cu3  1  0.006510  0.623992  0.316294  1
  Cu  Cu4  1  0.506510  0.373992  0.289127  1
  Cu  Cu5  1  0.506510  0.373992  0.344134  1
  Cu  Cu6  1  0.006510  0.623992  0.371897  1
  Cu  Cu7  1  0.006510  0.123992  0.371897  1
  Cu  Cu8  1  0.506510  0.873992  0.344134  1
  Cu  Cu9  1  0.506510  0.873992  0.399722  1
  Cu  Cu10  1  0.006510  0.123992  0.427522  1
  Cu  Cu11  1  0.006510  0.623992  0.427522  1
  Cu  Cu12  1  0.506510  0.373992  0.399722  1
  Cu  Cu13  1  0.506510  0.373992  0.455331  1
  Cu  Cu14  1  0.006510  0.623992  0.483136  1
  Cu  Cu15  1  0.006510  0.123992  0.483136  1
  Cu  Cu16  1  0.506510  0.873992  0.455331  1
  Cu  Cu17  1  0.506510  0.873992  0.510943  1
  Cu  Cu18  1  0.006510  0.123992  0.538749  1
  Cu  Cu19  1  0.006510  0.623992  0.538749  1
  Cu  Cu20  1  0.506510  0.373992  0.510943  1
  Cu  Cu21  1  0.506510  0.373992  0.566558  1
  Cu  Cu22  1  0.006510  0.623992  0.594358  1
  Cu  Cu23  1  0.006510  0.123992  0.594358  1
  Cu  Cu24  1  0.506510  0.873992  0.566558  1
  Cu  Cu25  1  0.506510  0.873992  0.622182  1
  Cu  Cu26  1  0.006510  0.123992  0.649946  1
  Cu  Cu27  1  0.006510  0.623992  0.649946  1
  Cu  Cu28  1  0.506510  0.373992  0.622182  1
  Cu  Cu29  1  0.506510  0.373992  0.677786  1
  Cu  Cu30  1  0.006510  0.623992  0.704952  1
  Cu  Cu31  1  0.006510  0.123992  0.704952  1
  Cu  Cu32  1  0.506510  0.873992  0.677786  1
