data_[Na2Mg1Fe1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0901]
_cell_length_b [5.0901]
_cell_length_c [5.1509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na2MgFeH8]
_chemical_formula_sum '[Na2 Mg1 Fe1 H8]'
_cell_volume [115.5732]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.8642  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Fe  Fe2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.1455  0.2911  0.1828  1
  H  H4  2  0.3333  0.6667  0.4489  1
]