data_[Ba2Ge4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9153]
_cell_length_b [4.4278]
_cell_length_c [5.9374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(GeH4)2]
_chemical_formula_sum '[Ba2 Ge4 H16]'
_cell_volume [279.9926]
_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
  Ge  Ge1  4  0.1985  0.0000  0.7381  1
  H  H2  8  0.1082  0.2772  0.7228  1
  H  H3  4  0.1420  0.5000  0.0882  1
  H  H4  4  0.1903  0.0000  0.4669  1
]