data_[Na6Be2H8]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.4657]
_cell_length_b [7.0941]
_cell_length_c [5.5058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na3BeH4]
_chemical_formula_sum '[Na6 Be2 H8]'
_cell_volume [213.4816]
_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  4  0.0000  0.2420  0.5522  1
  Na  Na1  2  0.0000  0.0000  0.0606  1
  Be  Be2  2  0.0000  0.5000  0.0079  1
  H  H3  4  0.0000  0.3253  0.1484  1
  H  H4  4  0.2136  0.5000  0.8407  1
]