data_[Li4H16W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [4.7481]
_cell_length_b [2.9467]
_cell_length_c [11.8837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiH4W]
_chemical_formula_sum '[Li4 H16 W4]'
_cell_volume [166.2664]
_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  0.2289  0.2500  0.8068  1
  H  H1  4  0.0106  0.7500  0.0603  1
  H  H2  4  0.0691  0.2500  0.1874  1
  H  H3  4  0.1190  0.2500  0.6501  1
  H  H4  4  0.1547  0.2500  0.4382  1
  W  W5  4  0.2250  0.7500  0.5604  1
]