data_[Ce2Fe4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9636]
_cell_length_b [8.0524]
_cell_length_c [3.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce(FeH4)2]
_chemical_formula_sum '[Ce2 Fe4 H16]'
_cell_volume [149.3938]
_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
[
  Ce  Ce0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.0000  0.3255  0.0000  1.0
  H  H2  8  0.1769  0.1478  0.0000  1.0
  H  H3  4  0.0000  0.3082  0.5000  1.0
  H  H4  4  0.0000  0.5000  0.2337  1.0
]