# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54762086
_cell_length_b   2.54762086
_cell_length_c   50.07823245
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   281.48108555
_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  0.000833  0.001666  0.270723  1
  Cu  Cu2  1  0.667499  0.668332  0.311764  1
  Cu  Cu3  1  0.000833  0.001666  0.353410  1
  Cu  Cu4  1  0.334166  0.334999  0.395139  1
  Cu  Cu5  1  0.000833  0.001666  0.436865  1
  Cu  Cu6  1  0.667499  0.668332  0.478591  1
  Cu  Cu7  1  0.000833  0.001666  0.520317  1
  Cu  Cu8  1  0.334166  0.334999  0.562043  1
  Cu  Cu9  1  0.000833  0.001666  0.603769  1
  Cu  Cu10  1  0.667499  0.668332  0.645495  1
  Cu  Cu11  1  0.000833  0.001666  0.687164  1
  Cu  Cu12  1  0.334166  0.334999  0.728275  1
