# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44347265
_cell_length_b   5.83226889
_cell_length_c   47.11450530
_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   671.42832248
_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  0.505489  0.322119  0.285776  1
  Cu  Cu2  1  1.005489  0.050572  0.314270  1
  Cu  Cu3  1  1.005489  0.646112  0.304136  1
  Cu  Cu4  1  0.505489  0.377304  0.335243  1
  Cu  Cu5  1  0.505489  0.785412  0.345721  1
  Cu  Cu6  1  1.005489  0.519207  0.376981  1
  Cu  Cu7  1  0.005489  0.109511  0.366066  1
  Cu  Cu8  1  0.505489  0.843431  0.397606  1
  Cu  Cu9  1  0.505489  0.252060  0.408218  1
  Cu  Cu10  1  0.005489  0.985595  0.439656  1
  Cu  Cu11  1  1.005489  0.576329  0.428972  1
  Cu  Cu12  1  0.505489  0.309660  0.460327  1
  Cu  Cu13  1  0.505489  0.718854  0.471023  1
  Cu  Cu14  1  1.005489  0.452107  0.502390  1
  Cu  Cu15  1  1.005489  0.042998  0.491717  1
  Cu  Cu16  1  0.505489  0.776251  0.523085  1
  Cu  Cu17  1  0.505489  0.185445  0.533781  1
  Cu  Cu18  1  1.005489  0.918776  0.565136  1
  Cu  Cu19  1  1.005489  0.509510  0.554452  1
  Cu  Cu20  1  0.505489  0.243045  0.585890  1
  Cu  Cu21  1  0.505489  0.651674  0.596501  1
  Cu  Cu22  1  0.005489  0.385594  0.628041  1
  Cu  Cu23  1  1.005489  0.975898  0.617126  1
  Cu  Cu24  1  0.505489  0.709693  0.648386  1
  Cu  Cu25  1  0.505489  0.117801  0.658864  1
  Cu  Cu26  1  1.005489  0.848994  0.689972  1
  Cu  Cu27  1  0.005489  0.444533  0.679837  1
  Cu  Cu28  1  0.505489  0.172986  0.708332  1
