data_[Er16Ru8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.6541]
_cell_length_b [12.9249]
_cell_length_c [6.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Er4Ru2Au]
_chemical_formula_sum '[Er16 Ru8 Au4]'
_cell_volume [628.7105]
_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  4  0.0521  0.0855  0.6736  1.0
  Er  Er1  4  0.1502  0.5305  0.6309  1.0
  Er  Er2  4  0.2995  0.1924  0.2535  1.0
  Er  Er3  4  0.4573  0.1886  0.8724  1.0
  Ru  Ru4  4  0.1782  0.3218  0.8518  1.0
  Ru  Ru5  4  0.3332  0.0085  0.6081  1.0
  Au  Au6  4  0.4018  0.3757  0.6094  1.0
]