# generated using pymatgen
data_ScOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15595087
_cell_length_b   5.18427653
_cell_length_c   5.24956689
_cell_angle_alpha   99.86033530
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScOF
_chemical_formula_sum   'Sc4 O4 F4'
_cell_volume   138.24747199
_cell_formula_units_Z   4
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  0.52750836  0.69218549  0.28775489  1.0
  Sc  Sc1  1  0.02750836  0.30781451  0.21224511  1.0
  Sc  Sc2  1  0.47249164  0.30781451  0.71224511  1.0
  Sc  Sc3  1  0.97249164  0.69218549  0.78775489  1.0
  O  O4  1  0.25370662  0.54410088  0.01215750  1.0
  O  O5  1  0.75370662  0.45589912  0.48784250  1.0
  O  O6  1  0.74629338  0.45589912  0.98784250  1.0
  O  O7  1  0.24629338  0.54410088  0.51215750  1.0
  F  F8  1  0.67468553  0.94311019  0.65783167  1.0
  F  F9  1  0.17468553  0.05688981  0.84216833  1.0
  F  F10  1  0.32531447  0.05688981  0.34216833  1.0
  F  F11  1  0.82531447  0.94311019  0.15783167  1.0