data_[Ba32Sn8H16]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.6315]
_cell_length_b [17.0205]
_cell_length_c [9.3391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ba4SnH2]
_chemical_formula_sum '[Ba32 Sn8 H16]'
_cell_volume [2007.8625]
_cell_formula_units_Z [8]
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  16  0.0462  0.1174  0.3312  1
  Ba  Ba1  16  0.1246  0.4278  0.1647  1
  Sn  Sn2  8  0.0000  0.0000  0.0111  1
  H  H3  16  0.0916  0.0893  0.6234  1
]