data_[Cs2Li2Fe2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8662]
_cell_length_b [5.1819]
_cell_length_c [5.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsLiFeH6]
_chemical_formula_sum '[Cs2 Li2 Fe2 H12]'
_cell_volume [207.8385]
_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
[
  Cs  Cs0  2  0.0238  0.0000  0.0162  1.0
  Li  Li1  2  0.1464  0.5000  0.4886  1.0
  Fe  Fe2  2  0.3082  0.0000  0.4630  1.0
  H  H3  4  0.2250  0.1642  0.6397  1.0
  H  H4  4  0.3430  0.2841  0.4050  1.0
  H  H5  2  0.4144  0.0000  0.2542  1.0
  H  H6  2  0.4722  0.0000  0.6885  1.0
]