data_[Cs4Fe2H10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [6.4253]
_cell_length_b [6.4253]
_cell_length_c [8.6808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2FeH5]
_chemical_formula_sum '[Cs4 Fe2 H10]'
_cell_volume [358.3786]
_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  4  0.0000  0.5000  0.2486  1.0
  Fe  Fe1  2  0.0000  0.0000  0.9634  1.0
  H  H2  8  0.1714  0.1714  0.0119  1.0
  H  H3  2  0.0000  0.0000  0.7687  1.0
]