# generated using pymatgen
data_CrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80634685
_cell_length_b   6.00272566
_cell_length_c   23.35164187
_cell_angle_alpha   59.06199285
_cell_angle_beta   59.33707599
_cell_angle_gamma   58.87436719
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrO2
_chemical_formula_sum   'Cr16 O32'
_cell_volume   563.56742797
_cell_formula_units_Z   16
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  0.48860900  0.48833200  0.12614400  1.0
  Cr  Cr1  1  0.48286800  0.49053900  0.25901900  1.0
  Cr  Cr2  1  0.48860000  0.01848200  0.12614400  1.0
  Cr  Cr3  1  0.12779900  0.11773100  0.53418200  1.0
  Cr  Cr4  1  0.49943500  0.49584500  0.37625100  1.0
  Cr  Cr5  1  0.85811800  0.88050000  0.22022200  1.0
  Cr  Cr6  1  0.12810500  0.12952600  0.77821300  1.0
  Cr  Cr7  1  0.49943700  0.99972600  0.37624900  1.0
  Cr  Cr8  1  0.50264800  0.50057700  0.62415200  1.0
  Cr  Cr9  1  0.87821100  0.87684100  0.46702900  1.0
  Cr  Cr10  1  0.50265100  0.00012600  0.62415200  1.0
  Cr  Cr11  1  0.49502800  0.01886600  0.87166600  1.0
  Cr  Cr12  1  0.49501500  0.49945400  0.87166900  1.0
  Cr  Cr13  1  0.87494100  0.87838100  0.71706400  1.0
  Cr  Cr14  1  0.49265000  0.49401800  0.00483400  1.0
  Cr  Cr15  1  0.85607600  0.87875700  0.97161000  1.0
  O  O16  1  0.29646000  0.25239800  0.06155100  1.0
  O  O17  1  0.29042000  0.24677000  0.17901000  1.0
  O  O18  1  0.29646900  0.70496800  0.06155300  1.0
  O  O19  1  0.71760600  0.25692700  0.06713200  1.0
  O  O20  1  0.25770400  0.74577600  0.18769100  1.0
  O  O21  1  0.29017600  0.25029200  0.31438500  1.0
  O  O22  1  0.71949400  0.25715700  0.19156600  1.0
  O  O23  1  0.27131300  0.23328600  0.44052500  1.0
  O  O24  1  0.29015800  0.70200500  0.31439100  1.0
  O  O25  1  0.71741800  0.75850200  0.06639000  1.0
  O  O26  1  0.71026500  0.25478900  0.32004200  1.0
  O  O27  1  0.71948400  0.75711600  0.19156800  1.0
  O  O28  1  0.25291200  0.22854200  0.56322300  1.0
  O  O29  1  0.25044200  0.75793500  0.43342400  1.0
  O  O30  1  0.75635500  0.21838000  0.43763900  1.0
  O  O31  1  0.27371700  0.24536200  0.68388500  1.0
  O  O32  1  0.25290400  0.76564100  0.56322400  1.0
  O  O33  1  0.72506400  0.75302700  0.31721700  1.0
  O  O34  1  0.74291700  0.24397800  0.56727400  1.0
  O  O35  1  0.75636800  0.77472700  0.43763400  1.0
  O  O36  1  0.26300500  0.75558100  0.68145000  1.0
  O  O37  1  0.25468000  0.22472900  0.80964300  1.0
  O  O38  1  0.75186700  0.23043300  0.68655400  1.0
  O  O39  1  0.28301900  0.27134100  0.91857600  1.0
  O  O40  1  0.25467300  0.78202600  0.80964500  1.0
  O  O41  1  0.73622900  0.75924200  0.56131000  1.0
  O  O42  1  0.74894300  0.24647000  0.81453600  1.0
  O  O43  1  0.75184900  0.77142200  0.68656200  1.0
  O  O44  1  0.26261700  0.75026800  0.93420800  1.0
  O  O45  1  0.71742900  0.25976600  0.93878700  1.0
  O  O46  1  0.72805000  0.76270700  0.81163500  1.0
  O  O47  1  0.71743400  0.76767300  0.93879000  1.0