# generated using pymatgen
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97402009
_cell_length_b   4.97402009
_cell_length_c   9.76704700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.84110601
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrO2
_chemical_formula_sum   'Cr4 O8'
_cell_volume   135.68138340
_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
  Cr  Cr0  1  0.13362900  0.86637100  0.07327400  1.0
  Cr  Cr1  1  0.86637100  0.13362900  0.92672600  1.0
  Cr  Cr2  1  0.13362900  0.86637100  0.42672600  1.0
  Cr  Cr3  1  0.86637100  0.13362900  0.57327400  1.0
  O  O4  1  0.76139000  0.23861000  0.39854600  1.0
  O  O5  1  0.23861000  0.76139000  0.60145400  1.0
  O  O6  1  0.23861000  0.76139000  0.89854600  1.0
  O  O7  1  0.76139000  0.23861000  0.10145400  1.0
  O  O8  1  0.07539600  0.92460400  0.25000000  1.0
  O  O9  1  0.92460400  0.07539600  0.75000000  1.0
  O  O10  1  0.50000000  0.50000000  0.00000000  1.0
  O  O11  1  0.50000000  0.50000000  0.50000000  1.0