# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54074348
_cell_length_b   2.54074348
_cell_length_c   50.78673054
_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   283.924275864
_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  1.002580  1.001720  0.353509  1
  Cu  Cu2  1  0.335914  0.668387  0.395233  1
  Cu  Cu3  1  1.002580  0.001720  0.270528  1
  Cu  Cu4  1  0.669247  0.335053  0.311828  1
  Cu  Cu5  1  0.002580  1.001720  0.520416  1
  Cu  Cu6  1  0.335914  0.668387  0.562143  1
  Cu  Cu7  1  0.002580  1.001720  0.436961  1
  Cu  Cu8  1  0.669247  0.335053  0.478689  1
  Cu  Cu9  1  1.002580  0.001720  0.687190  1
  Cu  Cu10  1  0.335914  0.668387  0.728099  1
  Cu  Cu11  1  0.002580  0.001720  0.603872  1
  Cu  Cu12  1  0.669247  0.335053  0.645605  1
