# generated using pymatgen
data_ScFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36938834
_cell_length_b   3.36938834
_cell_length_c   11.94425500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000675
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeO3
_chemical_formula_sum   'Sc2 Fe2 O6'
_cell_volume   117.43344651
_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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.33333300  0.66666700  0.75000000  1.0
  Fe  Fe3  1  0.66666700  0.33333300  0.25000000  1.0
  O  O4  1  0.00000000  0.00000000  0.25000000  1.0
  O  O5  1  0.00000000  0.00000000  0.75000000  1.0
  O  O6  1  0.33333300  0.66666700  0.58136300  1.0
  O  O7  1  0.33333300  0.66666700  0.91863700  1.0
  O  O8  1  0.66666700  0.33333300  0.41863700  1.0
  O  O9  1  0.66666700  0.33333300  0.08136300  1.0