# generated using pymatgen
data_CuC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97579600
_cell_length_b   5.14060876
_cell_length_c   5.45658912
_cell_angle_alpha   118.10221714
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuC6
_chemical_formula_sum   'Cu1 C6'
_cell_volume   123.11768665
_cell_formula_units_Z   1
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  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.62578900  0.00000000  0.00000000  1.0
  C  C2  1  0.37421100  0.00000000  0.00000000  1.0
  C  C3  1  0.00000000  0.63200400  0.52435900  1.0
  C  C4  1  0.00000000  0.36799600  0.47564100  1.0
  C  C5  1  0.00000000  0.10764400  0.47564100  1.0
  C  C6  1  0.00000000  0.89235600  0.52435900  1.0