data_[Er8Al16Pd8]
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 [Pnma]
_cell_length_a [15.9016]
_cell_length_b [6.9158]
_cell_length_c [5.4936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErAl2Pd]
_chemical_formula_sum '[Er8 Al16 Pd8]'
_cell_volume [604.1405]
_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
[
  Er  Er0  4  0.1076  0.2500  0.7711  1
  Er  Er1  4  0.1441  0.7500  0.5310  1
  Al  Al2  8  0.0334  0.0525  0.2616  1
  Al  Al3  8  0.2144  0.5550  0.0456  1
  Pd  Pd4  4  0.0725  0.7500  0.0099  1
  Pd  Pd5  4  0.1747  0.2500  0.2871  1
]