# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52978265
_cell_length_b   4.92241897
_cell_length_c   47.25434485
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.90104096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu22
_cell_volume   568.65335266
_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  0.890865  0.275341  0.285865  1
  Cu  Cu2  1  0.626109  0.745674  0.291717  1
  Cu  Cu3  1  0.286085  0.065790  0.326899  1
  Cu  Cu4  1  0.019656  0.532848  0.332966  1
  Cu  Cu5  1  0.680055  0.853766  0.368396  1
  Cu  Cu6  1  0.413663  0.320903  0.374978  1
  Cu  Cu7  1  0.074643  0.642979  0.410091  1
  Cu  Cu8  1  0.807804  0.109224  0.416735  1
  Cu  Cu9  1  0.469042  0.431815  0.451779  1
  Cu  Cu10  1  0.202129  0.897913  0.458470  1
  Cu  Cu11  1  0.863437  0.220644  0.493485  1
  Cu  Cu12  1  0.596492  0.686679  0.500185  1
  Cu  Cu13  1  0.257800  0.009409  0.535199  1
  Cu  Cu14  1  0.990887  0.475507  0.541890  1
  Cu  Cu15  1  0.652126  0.798098  0.576934  1
  Cu  Cu16  1  0.385286  0.264344  0.583578  1
  Cu  Cu17  1  0.046266  0.586420  0.618691  1
  Cu  Cu18  1  0.779874  0.053556  0.625273  1
  Cu  Cu19  1  0.440274  0.374474  0.660703  1
  Cu  Cu20  1  0.173845  0.841532  0.666770  1
  Cu  Cu21  1  0.833820  0.161649  0.701953  1
  Cu  Cu22  1  0.569064  0.631981  0.707804  1
