# generated using pymatgen
data_KScO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38467952
_cell_length_b   6.38467975
_cell_length_c   6.38468009
_cell_angle_alpha   29.22282407
_cell_angle_beta   29.22282304
_cell_angle_gamma   29.22282865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScO2
_chemical_formula_sum   'K1 Sc1 O2'
_cell_volume   54.88562235
_cell_formula_units_Z   1
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
  K  K0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.77382971  0.77382971  0.77382971  1.0
  O  O3  1  0.22617029  0.22617029  0.22617029  1.0