# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54338097
_cell_length_b   4.90418524
_cell_length_c   47.49475842
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.09103055
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   571.981880881
_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  0.875764  0.243754  0.286283  1
  Cu  Cu2  1  0.609819  0.710159  0.292192  1
  Cu  Cu3  1  0.266948  0.025441  0.326688  1
  Cu  Cu4  1  1.000544  0.491550  0.332988  1
  Cu  Cu5  1  0.657939  0.807060  0.368231  1
  Cu  Cu6  1  0.391636  0.273596  0.374810  1
  Cu  Cu7  1  0.049055  0.589078  0.410098  1
  Cu  Cu8  1  0.782517  0.055175  0.416568  1
  Cu  Cu9  1  0.439872  0.370518  0.451893  1
  Cu  Cu10  1  0.173436  0.836818  0.458358  1
  Cu  Cu11  1  0.830750  0.152079  0.493692  1
  Cu  Cu12  1  0.564313  0.618378  0.500152  1
  Cu  Cu13  1  0.221627  0.933639  0.535485  1
  Cu  Cu14  1  0.955191  0.399939  0.541950  1
  Cu  Cu15  1  0.612546  0.715282  0.577275  1
  Cu  Cu16  1  0.346008  0.181379  0.583746  1
  Cu  Cu17  1  1.003427  0.496861  0.619034  1
  Cu  Cu18  1  0.737124  0.963397  0.625613  1
  Cu  Cu19  1  0.394519  0.278907  0.660856  1
  Cu  Cu20  1  0.128115  0.745015  0.667156  1
  Cu  Cu21  1  0.785244  0.060298  0.701651  1
  Cu  Cu22  1  0.519299  0.526703  0.707560  1
