data_[Ba2Sn2F8]
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 [P2_1/m]
_cell_length_a [4.5481]
_cell_length_b [7.7755]
_cell_length_c [7.0891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8412]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSnF4]
_chemical_formula_sum '[Ba2 Sn2 F8]'
_cell_volume [248.9107]
_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  2  0.2616  0.7500  0.5363  1.0
  Sn  Sn1  2  0.3193  0.2500  0.9222  1.0
  F  F2  4  0.2929  0.0704  0.6826  1.0
  F  F3  2  0.1559  0.7500  0.1523  1.0
  F  F4  2  0.1995  0.2500  0.2851  1.0
]