data_[Er8Al12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.5394]
_cell_length_b [15.2325]
_cell_length_c [7.6337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er2Al3Pd4]
_chemical_formula_sum '[Er8 Al12 Pd16]'
_cell_volume [644.1260]
_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
[
  Er  Er0  8  0.0000  0.1075  0.5868  1.0
  Al  Al1  8  0.2500  0.2295  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1824  0.9783  1.0
  Pd  Pd4  8  0.2500  0.0611  0.2500  1.0
]