data_[Er2Pd4Au16]
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 [C2/m]
_cell_length_a [15.1184]
_cell_length_b [4.1468]
_cell_length_c [6.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(PdAu4)2]
_chemical_formula_sum '[Er2 Pd4 Au16]'
_cell_volume [399.3124]
_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  0.0000  0.5000  0.0000  1.0
  Pd  Pd1  4  0.2256  0.0000  0.6326  1.0
  Au  Au2  4  0.0490  0.0000  0.7232  1.0
  Au  Au3  4  0.0958  0.5000  0.4548  1.0
  Au  Au4  4  0.1398  0.0000  0.1902  1.0
  Au  Au5  4  0.1839  0.5000  0.9122  1.0
]