# generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55952106
_cell_length_b   2.55952106
_cell_length_c   50.52953231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu
_chemical_formula_sum   Cu12
_cell_volume   286.677312626
_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  0.003367  0.002245  0.353489  1
  Cu  Cu2  1  0.336700  0.668911  0.395235  1
  Cu  Cu3  1  0.003367  0.002245  0.270945  1
  Cu  Cu4  1  0.670033  0.335578  0.311669  1
  Cu  Cu5  1  0.003367  0.002245  0.520472  1
  Cu  Cu6  1  0.336700  0.668911  0.562217  1
  Cu  Cu7  1  0.003367  0.002245  0.436980  1
  Cu  Cu8  1  0.670033  0.335578  0.478726  1
  Cu  Cu9  1  0.003367  0.002245  0.687440  1
  Cu  Cu10  1  0.336700  0.668911  0.728040  1
  Cu  Cu11  1  0.003367  0.002245  0.603963  1
  Cu  Cu12  1  0.670033  0.335578  0.645715  1
