# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55952292
_cell_length_b   2.55952292
_cell_length_c   50.52949209
_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   286.677501696
_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  1.001122  0.002244  0.353490  1
  Cu  Cu2  1  0.667789  0.668911  0.395236  1
  Cu  Cu3  1  1.001122  0.002244  0.270947  1
  Cu  Cu4  1  0.334455  0.335577  0.311671  1
  Cu  Cu5  1  1.001122  0.002244  0.520473  1
  Cu  Cu6  1  0.667789  0.668911  0.562219  1
  Cu  Cu7  1  1.001122  0.002244  0.436981  1
  Cu  Cu8  1  0.334455  0.335577  0.478727  1
  Cu  Cu9  1  1.001122  0.002244  0.687441  1
  Cu  Cu10  1  0.667789  0.668911  0.728042  1
  Cu  Cu11  1  1.001122  0.002244  0.603965  1
  Cu  Cu12  1  0.334455  0.335577  0.645716  1
