# generated using pymatgen
data_CO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22721279
_cell_length_b   4.22721279
_cell_length_c   4.68777159
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CO2
_chemical_formula_sum   'C2 O4'
_cell_volume   83.76732800
_cell_formula_units_Z   2
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
  C  C0  1  0.50000000  0.50000000  0.50000000  1.0
  C  C1  1  -0.00000000  0.00000000  -0.00000000  1.0
  O  O2  1  0.30482686  0.69517314  0.50000000  1.0
  O  O3  1  0.69517314  0.30482686  0.50000000  1.0
  O  O4  1  0.19517314  0.19517314  0.00000000  1.0
  O  O5  1  0.80482686  0.80482686  0.00000000  1.0