data_[Rb4Fe4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [10.9787]
_cell_length_b [6.0002]
_cell_length_c [4.4982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFeH4]
_chemical_formula_sum '[Rb4 Fe4 H16]'
_cell_volume [291.0375]
_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
[
  Rb  Rb0  4  0.1786  0.0000  0.6923  1
  Fe  Fe1  4  0.0284  0.5000  0.7722  1
  H  H2  8  0.0797  0.3420  0.0689  1
  H  H3  4  0.0000  0.3109  0.5000  1
  H  H4  4  0.1634  0.5000  0.7218  1
]