data_[La4H8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3506]
_cell_length_b [5.8494]
_cell_length_c [6.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaH2Pd]
_chemical_formula_sum '[La4 H8 Pd4]'
_cell_volume [240.9281]
_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  0.2317  0.5149  0.2914  1
  H  H1  4  0.1113  0.1551  0.4416  1
  Pd  Pd2  4  0.3016  0.0126  0.3326  1
  H  H3  4  0.4002  0.6430  0.6479  1
]