# generated using pymatgen
data_ScOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88296744
_cell_length_b   5.28435060
_cell_length_c   5.74460621
_cell_angle_alpha   88.72142792
_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   148.19296045
_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  0.50972600  0.78096475  0.32925672  1.0
  Sc  Sc1  1  0.00972600  0.21903525  0.17074328  1.0
  Sc  Sc2  1  0.49027400  0.21903525  0.67074328  1.0
  Sc  Sc3  1  0.99027400  0.78096475  0.82925672  1.0
  O  O4  1  0.27448568  0.08180325  0.39975852  1.0
  O  O5  1  0.22551432  0.08180325  0.89975852  1.0
  O  O6  1  0.72551432  0.91819675  0.60024148  1.0
  O  O7  1  0.77448568  0.91819675  0.10024148  1.0
  F  F8  1  0.77436397  0.42543143  0.88491507  1.0
  F  F9  1  0.72563603  0.42543143  0.38491507  1.0
  F  F10  1  0.22563603  0.57456857  0.11508493  1.0
  F  F11  1  0.27436397  0.57456857  0.61508493  1.0