data_[Ba4Zn4H16]
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 [Cmcm]
_cell_length_a [4.0934]
_cell_length_b [13.2010]
_cell_length_c [5.5058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaZnH4]
_chemical_formula_sum '[Ba4 Zn4 H16]'
_cell_volume [297.5149]
_cell_formula_units_Z [4]
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  4  0.0000  0.3720  0.2500  1.0
  Zn  Zn1  4  0.0000  0.1022  0.2500  1.0
  H  H2  8  0.0000  0.1864  0.0178  1.0
  H  H3  4  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.0000  0.4131  0.7500  1.0
]