data_[Cs4Fe4H16]
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 [C2/m]
_cell_length_a [11.9352]
_cell_length_b [6.3756]
_cell_length_c [4.5411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFeH4]
_chemical_formula_sum '[Cs4 Fe4 H16]'
_cell_volume [336.5495]
_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
[
  Cs  Cs0  4  0.1763  0.0000  0.1591  1.0
  Fe  Fe1  4  0.0269  0.5000  0.2753  1.0
  H  H2  8  0.0749  0.3511  0.5755  1.0
  H  H3  4  0.0000  0.3254  0.0000  1.0
  H  H4  4  0.1522  0.5000  0.2367  1.0
]