# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54786265
_cell_length_b   4.91081427
_cell_length_c   47.42085809
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.90705589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   572.866365246
_cell_formula_units_Z   22
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  0.634088  0.242121  0.286946  1
  Cu  Cu2  1  0.900716  0.707456  0.293089  1
  Cu  Cu3  1  0.242743  0.024245  0.327488  1
  Cu  Cu4  1  0.509520  0.489783  0.333963  1
  Cu  Cu5  1  0.851582  0.806227  0.369080  1
  Cu  Cu6  1  0.118308  0.272004  0.375756  1
  Cu  Cu7  1  0.460518  0.588104  0.410921  1
  Cu  Cu8  1  0.727394  0.053581  0.417505  1
  Cu  Cu9  1  0.069675  0.369538  0.452707  1
  Cu  Cu10  1  0.336462  0.835189  0.459284  1
  Cu  Cu11  1  0.678783  0.151071  0.494496  1
  Cu  Cu12  1  0.945569  0.616723  0.501067  1
  Cu  Cu13  1  0.287890  0.932604  0.536279  1
  Cu  Cu14  1  0.554677  0.398255  0.542856  1
  Cu  Cu15  1  0.896958  0.714212  0.578058  1
  Cu  Cu16  1  0.163834  0.179690  0.584643  1
  Cu  Cu17  1  0.506044  0.495789  0.619807  1
  Cu  Cu18  1  0.772770  0.961566  0.626484  1
  Cu  Cu19  1  0.114832  0.278010  0.661601  1
  Cu  Cu20  1  0.381609  0.743548  0.668075  1
  Cu  Cu21  1  0.723636  0.060337  0.702474  1
  Cu  Cu22  1  0.990265  0.525672  0.708617  1
