data_[Er20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3762]
_cell_length_b [6.7747]
_cell_length_c [6.9074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er5Au2]
_chemical_formula_sum '[Er20 Au8]'
_cell_volume [762.9189]
_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  0.0943  0.1258  0.9504  1.0
  Er  Er1  8  0.2236  0.4439  0.2953  1.0
  Er  Er2  4  0.0000  0.4541  0.2500  1.0
  Au  Au3  8  0.1114  0.2808  0.5548  1.0
]