data_[La12Al4H4]
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 [C2/m]
_cell_length_a [17.6097]
_cell_length_b [3.7441]
_cell_length_c [8.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3AlH]
_chemical_formula_sum '[La12 Al4 H4]'
_cell_volume [555.2458]
_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
[
  La  La0  4  0.0581  0.5000  0.3062  1.0
  La  La1  4  0.1475  0.5000  0.9426  1.0
  La  La2  4  0.2452  0.5000  0.6743  1.0
  Al  Al3  4  0.0771  0.0000  0.6153  1.0
  H  H4  4  0.1690  0.5000  0.2178  1.0
]