data_[Ba2In2H4F16]
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
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9003]
_cell_length_b [7.7933]
_cell_length_c [8.7671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaInH2F8]
_chemical_formula_sum '[Ba2 In2 H4 F16]'
_cell_volume [334.8108]
_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  0.0000  0.0000  0.5000  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.0000  0.5000  0.1986  1.0
  F  F3  8  0.2344  0.5000  0.2018  1.0
  F  F4  4  0.0000  0.2618  0.0000  1.0
  F  F5  4  0.0000  0.3412  0.5000  1.0
]