data_[Ba1Fe1Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9541]
_cell_length_b [5.3697]
_cell_length_c [7.9404]
_cell_angle_alpha [90.3324]
_cell_angle_beta [95.5270]
_cell_angle_gamma [90.2272]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaFeSn2F8]
_chemical_formula_sum '[Ba1 Fe1 Sn2 F8]'
_cell_volume [210.2383]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4569  0.5194  0.7674  1.0
  F  F3  2  0.1612  0.2402  0.2161  1.0
  F  F4  2  0.1801  0.1603  0.8108  1.0
  F  F5  2  0.3049  0.6991  0.0486  1.0
  F  F6  2  0.4241  0.7422  0.4253  1.0
]