data_[Mg4Be2H12]
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 [P2_1/c]
_cell_length_a [4.4667]
_cell_length_b [4.9313]
_cell_length_c [7.7620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Mg2BeH6]
_chemical_formula_sum '[Mg4 Be2 H12]'
_cell_volume [143.1509]
_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
[
  Mg  Mg0  4  0.2185  0.0949  0.7462  1.0
  Be  Be1  2  0.5000  0.0000  0.5000  1.0
  H  H2  4  0.1470  0.1625  0.4453  1.0
  H  H3  4  0.2788  0.7084  0.4310  1.0
  H  H4  4  0.3986  0.0445  0.2703  1.0
]