data_[Ba4Mg2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5086]
_cell_length_b [5.6291]
_cell_length_c [12.0107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2MgH8]
_chemical_formula_sum '[Ba4 Mg2 H16]'
_cell_volume [304.8236]
_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  4  0.0000  0.5000  0.1909  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  H  H2  8  0.0000  0.2630  0.3852  1
  H  H3  4  0.0000  0.0000  0.0331  1
  H  H4  4  0.0000  0.0000  0.1951  1
]