# generated using pymatgen
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96475442
_cell_length_b   5.96475442
_cell_length_c   14.24597264
_cell_angle_alpha   89.87432166
_cell_angle_beta   89.87432166
_cell_angle_gamma   59.88050672
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrO2
_chemical_formula_sum   'Cr12 O24'
_cell_volume   438.41185645
_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
  Cr  Cr0  1  0.65754600  0.65754600  0.83474100  1.0
  Cr  Cr1  1  0.65791100  0.18481600  0.83466900  1.0
  Cr  Cr2  1  0.99108200  0.99108200  0.50385100  1.0
  Cr  Cr3  1  0.18481600  0.65791100  0.83466900  1.0
  Cr  Cr4  1  0.99193700  0.51782400  0.50455400  1.0
  Cr  Cr5  1  0.16701300  0.16701300  0.34081600  1.0
  Cr  Cr6  1  0.16677400  0.16677400  0.71563400  1.0
  Cr  Cr7  1  0.33006100  0.33006100  0.16063100  1.0
  Cr  Cr8  1  0.51782400  0.99193700  0.50455400  1.0
  Cr  Cr9  1  0.32842700  0.84276100  0.16797700  1.0
  Cr  Cr10  1  0.84276100  0.32842700  0.16797700  1.0
  Cr  Cr11  1  0.83235500  0.83235500  0.04344100  1.0
  O  O12  1  0.35014800  0.35014800  0.90069200  1.0
  O  O13  1  0.50037100  0.50037100  0.75987700  1.0
  O  O14  1  0.34959900  0.79948900  0.90065200  1.0
  O  O15  1  0.79948900  0.34959900  0.90065200  1.0
  O  O16  1  0.67673000  0.67673000  0.56412500  1.0
  O  O17  1  0.49709300  0.00154000  0.76194500  1.0
  O  O18  1  0.83394200  0.83394200  0.43025100  1.0
  O  O19  1  0.00154000  0.49709300  0.76194500  1.0
  O  O20  1  0.83324300  0.83324300  0.91168900  1.0
  O  O21  1  0.67755800  0.14664000  0.56418400  1.0
  O  O22  1  0.14663900  0.67755800  0.56418400  1.0
  O  O23  1  0.00151100  0.00151100  0.76181700  1.0
  O  O24  1  0.02461800  0.02461800  0.24657500  1.0
  O  O25  1  0.88662000  0.30736900  0.42612500  1.0
  O  O26  1  0.30736900  0.88662000  0.42612500  1.0
  O  O27  1  0.16259300  0.16259300  0.09453700  1.0
  O  O28  1  0.16683500  0.16683500  0.58603700  1.0
  O  O29  1  0.02722100  0.44518100  0.24463800  1.0
  O  O30  1  0.44518100  0.02722100  0.24463800  1.0
  O  O31  1  0.30616800  0.30616800  0.42693000  1.0
  O  O32  1  0.15199300  0.67372500  0.09351100  1.0
  O  O33  1  0.67372500  0.15199300  0.09351100  1.0
  O  O34  1  0.50229300  0.50229300  0.21846600  1.0
  O  O35  1  0.67406100  0.67406100  0.09271600  1.0