# generated using pymatgen
data_ScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35999200
_cell_length_b   3.97069300
_cell_length_c   6.04886335
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.12521613
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScO2
_chemical_formula_sum   'Sc2 O4'
_cell_volume   77.52587645
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.33642900  0.25000000  0.67285800  1.0
  Sc  Sc1  1  0.66357100  0.75000000  0.32714200  1.0
  O  O2  1  0.71569700  0.25000000  0.43139400  1.0
  O  O3  1  0.28430300  0.75000000  0.56860600  1.0
  O  O4  1  0.94770300  0.25000000  0.89540600  1.0
  O  O5  1  0.05229700  0.75000000  0.10459400  1.0