# generated using pymatgen
data_ScO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36787104
_cell_length_b   4.36787104
_cell_length_c   4.55153600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScO3
_chemical_formula_sum   'Sc2 O6'
_cell_volume   75.20180972
_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  0.33333300  0.66666700  0.75000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.25000000  1.0
  O  O2  1  0.17396900  0.34793800  0.25000000  1.0
  O  O3  1  0.65206200  0.82603100  0.25000000  1.0
  O  O4  1  0.17396900  0.82603100  0.25000000  1.0
  O  O5  1  0.82603100  0.65206200  0.75000000  1.0
  O  O6  1  0.34793800  0.17396900  0.75000000  1.0
  O  O7  1  0.82603100  0.17396900  0.75000000  1.0