data_[Na12Fe4H28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.0878]
_cell_length_b [9.0878]
_cell_length_c [4.9764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Na3FeH7]
_chemical_formula_sum '[Na12 Fe4 H28]'
_cell_volume [410.9917]
_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
[
  Na  Na0  8  0.0327  0.3031  0.5000  1
  Na  Na1  4  0.1155  0.8845  0.0000  1
  Fe  Fe2  4  0.2013  0.2013  0.0000  1
  H  H3  8  0.0690  0.3201  0.0000  1
  H  H4  8  0.1078  0.1078  0.1972  1
  H  H5  8  0.2412  0.2412  0.2863  1
  H  H6  4  0.1789  0.8211  0.5000  1
]