# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55767644
_cell_length_b   4.83574710
_cell_length_c   46.87983884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.16801889
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   559.623338253
_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  0.054744  0.610191  0.307155  1
  Cu  Cu2  1  0.376957  0.254627  0.276945  1
  Cu  Cu3  1  0.447511  0.395246  0.349586  1
  Cu  Cu4  1  0.781582  0.064212  0.317358  1
  Cu  Cu5  1  0.837634  0.175241  0.391784  1
  Cu  Cu6  1  0.175008  0.851267  0.357870  1
  Cu  Cu7  1  0.228141  0.956168  0.433833  1
  Cu  Cu8  1  0.567293  0.635970  0.399317  1
  Cu  Cu9  1  0.618693  0.737248  0.475780  1
  Cu  Cu10  1  0.958498  0.418444  0.441044  1
  Cu  Cu11  1  0.009343  0.518551  0.517681  1
  Cu  Cu12  1  0.349312  0.200098  0.482891  1
  Cu  Cu13  1  0.400157  0.300204  0.559528  1
  Cu  Cu14  1  0.739961  0.981400  0.524792  1
  Cu  Cu15  1  0.791362  0.082678  0.601255  1
  Cu  Cu16  1  0.130514  0.762480  0.566739  1
  Cu  Cu17  1  0.183647  0.867382  0.642701  1
  Cu  Cu18  1  0.521021  0.543408  0.608788  1
  Cu  Cu19  1  0.577073  0.654436  0.683214  1
  Cu  Cu20  1  0.911144  0.323402  0.650986  1
  Cu  Cu21  1  0.981698  0.464021  0.723627  1
  Cu  Cu22  1  0.303911  0.108458  0.693416  1
