data_[La8H24Pd8]
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 [C2/c]
_cell_length_a [8.1425]
_cell_length_b [9.7999]
_cell_length_c [6.6389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaH3Pd]
_chemical_formula_sum '[La8 H24 Pd8]'
_cell_volume [499.4116]
_cell_formula_units_Z [8]
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  0.0000  0.0846  0.2500  1.0
  La  La1  4  0.0000  0.3388  0.7500  1.0
  H  H2  8  0.0643  0.1273  0.6174  1.0
  H  H3  8  0.1802  0.4739  0.5188  1.0
  H  H4  8  0.1824  0.2453  0.1229  1.0
  Pd  Pd5  8  0.1888  0.3662  0.3196  1.0
]