data_[Er20Pd8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.2268]
_cell_length_b [7.4165]
_cell_length_c [7.6323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(PdAu)2]
_chemical_formula_sum '[Er20 Pd8 Au8]'
_cell_volume [861.9051]
_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  16  0.1352  0.1718  0.3294  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  8  0.0000  0.1294  0.6313  1.0
  Au  Au3  8  0.2054  0.0000  0.0000  1.0
]