data_[Ba6Sc4O10F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sc  1.3600  1.6000  0.8850
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1984]
_cell_length_b [4.1984]
_cell_length_c [22.5601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Sc2O5F2]
_chemical_formula_sum '[Ba6 Sc4 O10 F4]'
_cell_volume [397.6567]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.1747  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  4  0.0000  0.0000  0.4107  1.0
  O  O3  8  0.0000  0.5000  0.1007  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
  F  F5  4  0.0000  0.0000  0.2984  1.0
]