data_[Li4Mg8H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1619]
_cell_length_b [3.1364]
_cell_length_c [13.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiMg2H5]
_chemical_formula_sum '[Li4 Mg8 H20]'
_cell_volume [303.6867]
_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
[
  Li  Li0  4  0.0725  0.2500  0.4265  1
  Mg  Mg1  4  0.1482  0.2500  0.0586  1
  Mg  Mg2  4  0.1910  0.2500  0.7573  1
  H  H3  4  0.0653  0.7500  0.1731  1
  H  H4  4  0.1167  0.7500  0.9810  1
  H  H5  4  0.1266  0.7500  0.4781  1
  H  H6  4  0.1449  0.7500  0.6598  1
  H  H7  4  0.2256  0.2500  0.3201  1
]