data_[Na2Be2Fe2H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7004]
_cell_length_b [3.8912]
_cell_length_c [7.5289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaBeFeH6]
_chemical_formula_sum '[Na2 Be2 Fe2 H12]'
_cell_volume [137.7050]
_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
[
  Na  Na0  2  0.5000  0.0000  0.0133  1.0
  Be  Be1  2  0.0000  0.0000  0.3317  1.0
  Fe  Fe2  2  0.0000  0.0000  0.6517  1.0
  H  H3  8  0.2182  0.2164  0.7552  1.0
  H  H4  4  0.2267  0.0000  0.4956  1.0
]