data_[Li8Mg4H20]
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 [Cmcm]
_cell_length_a [3.8320]
_cell_length_b [9.5320]
_cell_length_c [9.6918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2MgH5]
_chemical_formula_sum '[Li8 Mg4 H20]'
_cell_volume [354.0072]
_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  8  0.0000  0.1874  0.5865  1
  Mg  Mg1  4  0.0000  0.1596  0.2500  1
  H  H2  8  0.0000  0.0122  0.0421  1
  H  H3  8  0.0000  0.2797  0.0904  1
  H  H4  4  0.0000  0.3055  0.7500  1
]