data_[La2Fe4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9943]
_cell_length_b [8.2462]
_cell_length_c [3.6959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La(FeH4)2]
_chemical_formula_sum '[La2 Fe4 H16]'
_cell_volume [152.2089]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.0000  0.3266  0.0000  1.0
  H  H2  8  0.1787  0.1520  0.0000  1.0
  H  H3  4  0.0000  0.3120  0.5000  1.0
  H  H4  4  0.0000  0.5000  0.2242  1.0
]