# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46673522
_cell_length_b   4.66428515
_cell_length_c   47.14196357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.19319376
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   523.436551907
_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  0.748184  0.494562  0.314572  1
  Cu  Cu2  1  0.067942  0.133989  0.287195  1
  Cu  Cu3  1  0.140427  0.278546  0.355404  1
  Cu  Cu4  1  0.473034  0.944411  0.325121  1
  Cu  Cu5  1  0.530160  0.057851  0.396148  1
  Cu  Cu6  1  0.867181  0.732804  0.363751  1
  Cu  Cu7  1  0.920046  0.837800  0.436659  1
  Cu  Cu8  1  0.259565  0.517948  0.403474  1
  Cu  Cu9  1  0.310073  0.617932  0.477038  1
  Cu  Cu10  1  0.650445  0.300041  0.443571  1
  Cu  Cu11  1  0.700219  0.398368  0.517358  1
  Cu  Cu12  1  0.040834  0.080945  0.483823  1
  Cu  Cu13  1  0.090608  0.179271  0.557609  1
  Cu  Cu14  1  0.430980  0.861381  0.524142  1
  Cu  Cu15  1  0.481488  0.961364  0.597707  1
  Cu  Cu16  1  0.821007  0.641512  0.564522  1
  Cu  Cu17  1  0.873873  0.746508  0.637429  1
  Cu  Cu18  1  0.210893  0.421461  0.605033  1
  Cu  Cu19  1  0.268019  0.534902  0.676060  1
  Cu  Cu20  1  0.600626  0.200767  0.645777  1
  Cu  Cu21  1  0.673112  0.345323  0.713985  1
  Cu  Cu22  1  0.992870  0.984750  0.686608  1
