data_[Mg4Be8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [8.7770]
_cell_length_b [8.0702]
_cell_length_c [4.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(BeH3)2]
_chemical_formula_sum '[Mg4 Be8 H24]'
_cell_volume [310.2156]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.1378  0.7500  1.0
  Be  Be1  8  0.2079  0.4234  0.7339  1.0
  H  H2  8  0.1175  0.0730  0.1626  1.0
  H  H3  8  0.1382  0.4791  0.9609  1.0
  H  H4  8  0.1578  0.2574  0.6645  1.0
]