# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56610900
_cell_length_b   5.10824060
_cell_length_c   46.29672006
_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   Cu32
_cell_volume   843.366181799
_cell_formula_units_Z   32
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  1.006829  0.375380  0.288946  1
  Cu  Cu2  1  0.506829  0.625380  0.316194  1
  Cu  Cu3  1  0.506829  0.125380  0.316194  1
  Cu  Cu4  1  1.006829  0.875380  0.288946  1
  Cu  Cu5  1  1.006829  0.875380  0.344090  1
  Cu  Cu6  1  0.506829  0.125380  0.371659  1
  Cu  Cu7  1  0.506829  0.625380  0.371659  1
  Cu  Cu8  1  1.006829  0.375380  0.344090  1
  Cu  Cu9  1  1.006829  0.375380  0.399550  1
  Cu  Cu10  1  0.506829  0.625380  0.427343  1
  Cu  Cu11  1  0.506829  0.125380  0.427343  1
  Cu  Cu12  1  1.006829  0.875380  0.399550  1
  Cu  Cu13  1  1.006829  0.875380  0.455170  1
  Cu  Cu14  1  0.506829  0.125380  0.482984  1
  Cu  Cu15  1  0.506829  0.625380  0.482984  1
  Cu  Cu16  1  1.006829  0.375380  0.455170  1
  Cu  Cu17  1  1.006829  0.375380  0.510803  1
  Cu  Cu18  1  0.506829  0.625380  0.538617  1
  Cu  Cu19  1  0.506829  0.125380  0.538617  1
  Cu  Cu20  1  1.006829  0.875380  0.510803  1
  Cu  Cu21  1  1.006829  0.875380  0.566444  1
  Cu  Cu22  1  0.506829  0.125380  0.594237  1
  Cu  Cu23  1  0.506829  0.625380  0.594237  1
  Cu  Cu24  1  1.006829  0.375380  0.566444  1
  Cu  Cu25  1  1.006829  0.375380  0.622128  1
  Cu  Cu26  1  0.506829  0.625380  0.649697  1
  Cu  Cu27  1  0.506829  0.125380  0.649697  1
  Cu  Cu28  1  1.006829  0.875380  0.622128  1
  Cu  Cu29  1  1.006829  0.875380  0.677593  1
  Cu  Cu30  1  0.506829  0.125380  0.704841  1
  Cu  Cu31  1  0.506829  0.625380  0.704841  1
  Cu  Cu32  1  1.006829  0.375380  0.677593  1
