data_[Ba4Sn8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6449]
_cell_length_b [9.6171]
_cell_length_c [7.5229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaSn2F6]
_chemical_formula_sum '[Ba4 Sn8 F24]'
_cell_volume [652.7879]
_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
[
  Ba  Ba0  4  0.0000  0.1553  0.7500  1.0
  Sn  Sn1  8  0.1684  0.4023  0.5278  1.0
  F  F2  8  0.1080  0.0729  0.1908  1.0
  F  F3  8  0.1922  0.3903  0.9180  1.0
  F  F4  8  0.2484  0.1686  0.6446  1.0
]