# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08282760
_cell_length_b   4.08282760
_cell_length_c   44.85884907
_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   647.591056904
_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  0.310790  1
  Cu  Cu2  1  0.835348  0.418010  0.292698  1
  Cu  Cu3  1  0.835348  0.418010  0.345034  1
  Cu  Cu4  1  0.168681  0.084676  0.323982  1
  Cu  Cu5  1  0.168681  0.084676  0.380757  1
  Cu  Cu6  1  0.502014  0.751343  0.364067  1
  Cu  Cu7  1  0.502014  0.751343  0.419328  1
  Cu  Cu8  1  0.835348  0.418010  0.400460  1
  Cu  Cu9  1  0.835348  0.418010  0.456361  1
  Cu  Cu10  1  0.168681  0.084676  0.437375  1
  Cu  Cu11  1  0.168681  0.084676  0.493547  1
  Cu  Cu12  1  0.502014  0.751343  0.475035  1
  Cu  Cu13  1  0.502014  0.751343  0.530891  1
  Cu  Cu14  1  0.835348  0.418010  0.512379  1
  Cu  Cu15  1  0.835348  0.418010  0.568551  1
  Cu  Cu16  1  0.168681  0.084676  0.549565  1
  Cu  Cu17  1  0.168681  0.084676  0.605466  1
  Cu  Cu18  1  0.502014  0.751343  0.586598  1
  Cu  Cu19  1  0.502014  0.751343  0.641859  1
  Cu  Cu20  1  0.835348  0.418010  0.625169  1
  Cu  Cu21  1  0.835348  0.418010  0.681943  1
  Cu  Cu22  1  0.168681  0.084676  0.660892  1
  Cu  Cu23  1  0.168681  0.084676  0.713228  1
  Cu  Cu24  1  0.502014  0.751343  0.695136  1
