data_[Gd1Mg2Al1H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.0112]
_cell_length_b [6.3182]
_cell_length_c [4.5889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [GdMg2AlH8]
_chemical_formula_sum '[Gd1 Mg2 Al1 H8]'
_cell_volume [116.2944]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Mg  Mg1  2  0.5000  0.2474  0.5000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  H  H3  4  0.1135  0.2024  0.7620  1
  H  H4  2  0.3606  0.0000  0.2457  1
  H  H5  2  0.4884  0.5000  0.2346  1
]