# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55836862
_cell_length_b   2.55836862
_cell_length_c   50.53295855
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   286.43863482
_cell_formula_units_Z   12
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  1.003626  1.002417  0.353366  1
  Cu  Cu2  1  0.336959  0.669084  0.395124  1
  Cu  Cu3  1  1.003626  1.002417  0.270973  1
  Cu  Cu4  1  0.670292  0.335750  0.311563  1
  Cu  Cu5  1  0.003626  1.002417  0.520391  1
  Cu  Cu6  1  0.336959  0.669084  0.562147  1
  Cu  Cu7  1  1.003626  1.002417  0.436879  1
  Cu  Cu8  1  0.670292  0.335750  0.478635  1
  Cu  Cu9  1  0.003626  0.002417  0.687413  1
  Cu  Cu10  1  0.336959  0.669084  0.727925  1
  Cu  Cu11  1  0.003626  0.002417  0.603903  1
  Cu  Cu12  1  0.670292  0.335750  0.645665  1
