# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45749421
_cell_length_b   2.45749421
_cell_length_c   56.44254259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   295.203979771
_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  1.001246  0.002491  0.303096  1
  Cu  Cu2  1  0.667912  0.669158  0.338064  1
  Cu  Cu3  1  1.001246  0.002491  0.373757  1
  Cu  Cu4  1  0.334579  0.335825  0.409548  1
  Cu  Cu5  1  1.001246  0.002491  0.445334  1
  Cu  Cu6  1  0.667912  0.669158  0.481119  1
  Cu  Cu7  1  1.001246  0.002491  0.516904  1
  Cu  Cu8  1  0.334579  0.335825  0.552689  1
  Cu  Cu9  1  1.001246  0.002491  0.588475  1
  Cu  Cu10  1  0.667912  0.669158  0.624264  1
  Cu  Cu11  1  1.001246  0.002491  0.659971  1
  Cu  Cu12  1  0.334579  0.335825  0.695015  1
