data_[La2Al2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3352]
_cell_length_b [4.7434]
_cell_length_c [6.2691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaAlH3]
_chemical_formula_sum '[La2 Al2 H6]'
_cell_volume [121.9935]
_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
[
  La  La0  2  0.1538  0.7500  0.2809  1.0
  Al  Al1  2  0.4314  0.7500  0.8630  1.0
  H  H2  4  0.3086  0.0072  0.6338  1.0
  H  H3  2  0.0190  0.7500  0.8643  1.0
]