data_[Mg4Be4H12]
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 [Pnnm]
_cell_length_a [4.7368]
_cell_length_b [6.2870]
_cell_length_c [7.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [MgBeH3]
_chemical_formula_sum '[Mg4 Be4 H12]'
_cell_volume [213.6467]
_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  0.5000  0.2007  1
  Be  Be1  4  0.1392  0.1347  0.0000  1
  H  H2  8  0.2354  0.7040  0.3301  1
  H  H3  4  0.1709  0.8851  0.0000  1
]