# generated using pymatgen
data_CO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49707328
_cell_length_b   5.49707328
_cell_length_c   5.49707328
_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   'C4 O8'
_cell_volume   166.10954147
_cell_formula_units_Z   4
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  -0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.50000000  0.00000000  0.50000000  1.0
  C  C2  1  0.50000000  0.50000000  0.00000000  1.0
  C  C3  1  -0.00000000  0.50000000  0.50000000  1.0
  O  O4  1  0.12253698  0.12253698  0.12253698  1.0
  O  O5  1  0.37746302  0.87746302  0.62253698  1.0
  O  O6  1  0.62253698  0.37746302  0.87746302  1.0
  O  O7  1  0.87746302  0.62253698  0.37746302  1.0
  O  O8  1  0.87746302  0.87746302  0.87746302  1.0
  O  O9  1  0.62253698  0.12253698  0.37746302  1.0
  O  O10  1  0.37746302  0.62253698  0.12253698  1.0
  O  O11  1  0.12253698  0.37746302  0.62253698  1.0