# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07652018
_cell_length_b   4.07652018
_cell_length_c   44.88825921
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu24
_cell_volume   646.014978696
_cell_formula_units_Z   24
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  0.751007  0.752013  0.310226  1
  Cu  Cu2  1  0.417673  0.418680  0.292385  1
  Cu  Cu3  1  0.417673  0.418680  0.344831  1
  Cu  Cu4  1  0.084340  0.085346  0.323309  1
  Cu  Cu5  1  0.084340  0.085346  0.380193  1
  Cu  Cu6  1  0.751007  0.752013  0.363713  1
  Cu  Cu7  1  0.751007  0.752013  0.418946  1
  Cu  Cu8  1  0.417673  0.418680  0.400083  1
  Cu  Cu9  1  0.417673  0.418680  0.455938  1
  Cu  Cu10  1  0.084340  0.085346  0.436882  1
  Cu  Cu11  1  0.084340  0.085346  0.493093  1
  Cu  Cu12  1  0.751007  0.752013  0.474620  1
  Cu  Cu13  1  0.751007  0.752013  0.530435  1
  Cu  Cu14  1  0.417673  0.418680  0.511962  1
  Cu  Cu15  1  0.417673  0.418680  0.568174  1
  Cu  Cu16  1  0.084340  0.085346  0.549117  1
  Cu  Cu17  1  0.084340  0.085346  0.604973  1
  Cu  Cu18  1  0.751007  0.752013  0.586109  1
  Cu  Cu19  1  0.751007  0.752013  0.641342  1
  Cu  Cu20  1  0.417673  0.418680  0.624862  1
  Cu  Cu21  1  0.417673  0.418680  0.681746  1
  Cu  Cu22  1  0.084340  0.085346  0.660224  1
  Cu  Cu23  1  0.084340  0.085346  0.712671  1
  Cu  Cu24  1  0.751007  0.752013  0.694829  1
