data_[Ba2B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2068]
_cell_length_b [5.2802]
_cell_length_c [5.3689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(BH4)2]
_chemical_formula_sum '[Ba2 B4 H16]'
_cell_volume [213.3698]
_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  0.0000  1.0
  B  B1  4  0.2496  0.0000  0.7498  1.0
  H  H2  8  0.1562  0.1892  0.6674  1.0
  H  H3  4  0.1470  0.5000  0.9725  1.0
  H  H4  4  0.1665  0.5000  0.3625  1.0
]