data_[Er1H8Ir1Pd2]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5095]
_cell_length_b [4.5150]
_cell_length_c [5.8121]
_cell_angle_alpha [80.1692]
_cell_angle_beta [87.5750]
_cell_angle_gamma [75.9834]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErH8IrPd2]
_chemical_formula_sum '[Er1 H8 Ir1 Pd2]'
_cell_volume [113.1279]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  H  H1  2  0.0370  0.3204  0.8086  1.0
  H  H2  2  0.2327  0.7265  0.8618  1.0
  H  H3  2  0.2883  0.0485  0.1604  1.0
  H  H4  2  0.2969  0.4883  0.4411  1.0
  Pd  Pd5  2  0.4263  0.3418  0.7192  1.0
  Ir  Ir6  1  0.0000  0.0000  0.0000  1.0
]