data_[Li3Mg3Be6H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.2900]
_cell_length_b [4.2900]
_cell_length_c [16.2328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiMg(BeH3)2]
_chemical_formula_sum '[Li3 Mg3 Be6 H18]'
_cell_volume [258.7242]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  -0.0000  0.0000  0.5000  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Be  Be2  6  0.0000  0.0000  0.2440  1
  H  H3  18  0.0055  0.6780  0.7515  1
]