data_[Ba2Zn4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2002]
_cell_length_b [4.5079]
_cell_length_c [5.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(ZnH3)2]
_chemical_formula_sum '[Ba2 Zn4 H12]'
_cell_volume [254.0217]
_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
  Zn  Zn1  4  0.2440  0.0000  0.3150  1.0
  H  H2  4  0.1096  0.0000  0.0806  1.0
  H  H3  4  0.1257  0.5000  0.6898  1.0
  H  H4  4  0.2412  0.0000  0.6451  1.0
]