# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08282806
_cell_length_b   4.08282806
_cell_length_c   44.85892476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu24
_cell_volume   647.592296087
_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  0.502014  0.751343  0.310789  1
  Cu  Cu2  1  0.835347  0.418009  0.292697  1
  Cu  Cu3  1  0.835347  0.418009  0.345033  1
  Cu  Cu4  1  0.168680  0.084676  0.323982  1
  Cu  Cu5  1  0.168680  0.084676  0.380756  1
  Cu  Cu6  1  0.502014  0.751343  0.364066  1
  Cu  Cu7  1  0.502014  0.751343  0.419327  1
  Cu  Cu8  1  0.835347  0.418009  0.400459  1
  Cu  Cu9  1  0.835347  0.418009  0.456360  1
  Cu  Cu10  1  0.168680  0.084676  0.437374  1
  Cu  Cu11  1  0.168680  0.084676  0.493546  1
  Cu  Cu12  1  0.502014  0.751343  0.475034  1
  Cu  Cu13  1  0.502014  0.751343  0.530889  1
  Cu  Cu14  1  0.835347  0.418009  0.512377  1
  Cu  Cu15  1  0.835347  0.418009  0.568549  1
  Cu  Cu16  1  0.168680  0.084676  0.549564  1
  Cu  Cu17  1  0.168680  0.084676  0.605465  1
  Cu  Cu18  1  0.502014  0.751343  0.586596  1
  Cu  Cu19  1  0.502014  0.751343  0.641858  1
  Cu  Cu20  1  0.835347  0.418009  0.625168  1
  Cu  Cu21  1  0.835347  0.418009  0.681942  1
  Cu  Cu22  1  0.168680  0.084676  0.660891  1
  Cu  Cu23  1  0.168680  0.084676  0.713226  1
  Cu  Cu24  1  0.502014  0.751343  0.695134  1
