# generated using pymatgen
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94359680
_cell_length_b   5.94991424
_cell_length_c   17.67472717
_cell_angle_alpha   59.62416718
_cell_angle_beta   59.74294971
_cell_angle_gamma   59.99524537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrO2
_chemical_formula_sum   'Cr12 O24'
_cell_volume   439.83268183
_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  0.49247300  0.49234300  0.16560100  1.0
  Cr  Cr1  1  0.00214900  0.50146400  0.49835700  1.0
  Cr  Cr2  1  0.50397400  0.50118300  0.33074600  1.0
  Cr  Cr3  1  0.49223200  0.01744600  0.16587600  1.0
  Cr  Cr4  1  0.50140900  0.50059200  0.49870500  1.0
  Cr  Cr5  1  0.01758400  0.49257800  0.16568600  1.0
  Cr  Cr6  1  0.50187400  0.50544300  0.66395800  1.0
  Cr  Cr7  1  0.50101500  0.00228600  0.49842200  1.0
  Cr  Cr8  1  0.49681600  0.49635100  0.83259000  1.0
  Cr  Cr9  1  0.49796800  0.01092700  0.83095600  1.0
  Cr  Cr10  1  0.00603400  0.49511600  0.83437400  1.0
  Cr  Cr11  1  0.88063100  0.87795400  0.95380600  1.0
  O  O12  1  0.23555400  0.23626500  0.10646000  1.0
  O  O13  1  0.23602000  0.70882100  0.10606200  1.0
  O  O14  1  0.26177000  0.26089500  0.23859800  1.0
  O  O15  1  0.70833700  0.23620900  0.10629100  1.0
  O  O16  1  0.26956600  0.26864900  0.42211400  1.0
  O  O17  1  0.31487600  0.72871300  0.24209800  1.0
  O  O18  1  0.75040600  0.75104100  0.08240000  1.0
  O  O19  1  0.73045500  0.31274500  0.24231500  1.0
  O  O20  1  0.27115600  0.69420300  0.42141500  1.0
  O  O21  1  0.26777300  0.26887900  0.56518700  1.0
  O  O22  1  0.69592900  0.26766000  0.42256100  1.0
  O  O23  1  0.73067000  0.72872900  0.24226100  1.0
  O  O24  1  0.27070900  0.27450900  0.75275700  1.0
  O  O25  1  0.30538300  0.73531100  0.57516500  1.0
  O  O26  1  0.73415400  0.73310800  0.43291000  1.0
  O  O27  1  0.73302000  0.30640500  0.57612800  1.0
  O  O28  1  0.26591800  0.26195000  0.90272600  1.0
  O  O29  1  0.27023700  0.69796000  0.75349300  1.0
  O  O30  1  0.69829800  0.27326400  0.75261000  1.0
  O  O31  1  0.73444400  0.73486900  0.57537700  1.0
  O  O32  1  0.24564500  0.76789600  0.90624600  1.0
  O  O33  1  0.76900200  0.24645100  0.90502300  1.0
  O  O34  1  0.71728600  0.72197200  0.77999200  1.0
  O  O35  1  0.76763300  0.76821700  0.90563600  1.0