data_[Ba1In1Sn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2644]
_cell_length_b [4.3045]
_cell_length_c [8.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaInSn2F8]
_chemical_formula_sum '[Ba1 In1 Sn2 F8]'
_cell_volume [228.6645]
_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
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4565  0.5000  0.2458  1.0
  F  F3  2  0.1857  0.5000  0.0787  1.0
  F  F4  2  0.1872  0.0000  0.7774  1.0
  F  F5  2  0.2539  0.5000  0.4588  1.0
  F  F6  2  0.3206  0.0000  0.2671  1.0
]