# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54816837
_cell_length_b   6.10667755
_cell_length_c   49.04858389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu28
_cell_volume   763.237291982
_cell_formula_units_Z   28
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  0.504068  0.570235  0.316315  1
  Cu  Cu2  1  1.004068  0.839212  0.286989  1
  Cu  Cu3  1  1.004068  0.896650  0.336773  1
  Cu  Cu4  1  0.504068  0.162500  0.306365  1
  Cu  Cu5  1  0.504068  0.044197  0.378694  1
  Cu  Cu6  1  1.004068  0.308706  0.347528  1
  Cu  Cu7  1  1.004068  0.369640  0.399488  1
  Cu  Cu8  1  0.504068  0.633754  0.368119  1
  Cu  Cu9  1  0.504068  0.515444  0.441488  1
  Cu  Cu10  1  1.004068  0.779862  0.410114  1
  Cu  Cu11  1  1.004068  0.841071  0.462161  1
  Cu  Cu12  1  0.504068  0.105343  0.430804  1
  Cu  Cu13  1  0.504068  0.986648  0.504194  1
  Cu  Cu14  1  1.004068  0.251016  0.472835  1
  Cu  Cu15  1  1.004068  0.312312  0.524877  1
  Cu  Cu16  1  0.504068  0.576681  0.493518  1
  Cu  Cu17  1  0.504068  0.457986  0.566909  1
  Cu  Cu18  1  1.004068  0.722258  0.535552  1
  Cu  Cu19  1  1.004068  0.783467  0.587599  1
  Cu  Cu20  1  0.504068  0.047885  0.556225  1
  Cu  Cu21  1  0.504068  0.929575  0.629594  1
  Cu  Cu22  1  1.004068  0.193689  0.598224  1
  Cu  Cu23  1  1.004068  0.254623  0.650185  1
  Cu  Cu24  1  0.504068  0.519132  0.619019  1
  Cu  Cu25  1  0.504068  0.400829  0.691348  1
  Cu  Cu26  1  1.004068  0.666679  0.660940  1
  Cu  Cu27  1  1.004068  0.724117  0.710724  1
  Cu  Cu28  1  0.504068  0.993093  0.681398  1
