# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18665212
_cell_length_b   4.18665212
_cell_length_c   45.93708368
_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   697.313066317
_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  0.750025  0.750050  0.308587  1
  Cu  Cu2  1  0.416692  0.416717  0.292231  1
  Cu  Cu3  1  0.416692  0.416717  0.344266  1
  Cu  Cu4  1  0.083359  0.083384  0.324254  1
  Cu  Cu5  1  0.083359  0.083384  0.381396  1
  Cu  Cu6  1  0.750025  0.750050  0.363130  1
  Cu  Cu7  1  0.750025  0.750050  0.418690  1
  Cu  Cu8  1  0.416692  0.416717  0.399810  1
  Cu  Cu9  1  0.416692  0.416717  0.455799  1
  Cu  Cu10  1  0.083359  0.083384  0.437282  1
  Cu  Cu11  1  0.083359  0.083384  0.493063  1
  Cu  Cu12  1  0.750025  0.750050  0.474423  1
  Cu  Cu13  1  0.750025  0.750050  0.530275  1
  Cu  Cu14  1  0.416692  0.416717  0.511635  1
  Cu  Cu15  1  0.416692  0.416717  0.567416  1
  Cu  Cu16  1  0.083359  0.083384  0.548898  1
  Cu  Cu17  1  0.083359  0.083384  0.604887  1
  Cu  Cu18  1  0.750025  0.750050  0.586008  1
  Cu  Cu19  1  0.750025  0.750050  0.641568  1
  Cu  Cu20  1  0.416692  0.416717  0.623301  1
  Cu  Cu21  1  0.416692  0.416717  0.680443  1
  Cu  Cu22  1  0.083359  0.083384  0.660432  1
  Cu  Cu23  1  0.083359  0.083384  0.712467  1
  Cu  Cu24  1  0.750025  0.750050  0.696111  1
