data_[Gd2Be4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Be  1.5700  1.0500  0.5900
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7295]
_cell_length_b [5.0986]
_cell_length_c [6.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.3702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd(BeH3)2]
_chemical_formula_sum '[Gd2 Be4 H12]'
_cell_volume [220.4399]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.0000  1
  Be  Be1  4  0.1598  0.0000  0.6568  1
  H  H2  8  0.2476  0.2594  0.2528  1
  H  H3  4  0.0158  0.0000  0.3562  1
]