data_[Er2H6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4163]
_cell_length_b [5.7761]
_cell_length_c [6.6028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er(HPd2)3]
_chemical_formula_sum '[Er2 H6 Pd12]'
_cell_volume [271.1015]
_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
[
  Er  Er0  2  0.3597  0.5000  0.0404  1
  Pd  Pd1  4  0.0264  0.2434  0.8167  1
  Pd  Pd2  4  0.1341  0.2549  0.5058  1
  H  H3  2  0.1193  0.5000  0.3296  1
  H  H4  2  0.1751  0.0000  0.9853  1
  Pd  Pd5  2  0.2997  0.0000  0.3380  1
  H  H6  2  0.3358  0.0000  0.6591  1
  Pd  Pd7  2  0.3788  0.0000  0.0012  1
]