data_[Na3Li1Be2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.9813]
_cell_length_b [4.9813]
_cell_length_c [6.4081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na3Li(BeH4)2]
_chemical_formula_sum '[Na3 Li1 Be2 H8]'
_cell_volume [137.7048]
_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  0.3267  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Be  Be3  2  0.3333  0.6667  0.7696  1.0
  H  H4  6  0.1772  0.8228  0.6843  1.0
  H  H5  2  0.3333  0.6667  0.9886  1.0
]