data_[Ba2Ag2B2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.0473]
_cell_length_b [4.5433]
_cell_length_c [5.8406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAgBH6]
_chemical_formula_sum '[Ba2 Ag2 B2 H12]'
_cell_volume [249.8925]
_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  0.1106  0.0000  0.1751  1.0
  Ag  Ag1  2  0.1770  0.5000  0.7241  1.0
  B  B2  2  0.3759  0.0000  0.1397  1.0
  H  H3  4  0.3907  0.2223  0.2723  1.0
  H  H4  2  0.0907  0.5000  0.9004  1.0
  H  H5  2  0.2486  0.5000  0.5257  1.0
  H  H6  2  0.2560  0.0000  0.9317  1.0
  H  H7  2  0.4579  0.0000  0.0583  1.0
]