data_[Er8Zn12Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.6753]
_cell_length_b [15.4050]
_cell_length_c [8.0254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er2Zn3Au4]
_chemical_formula_sum '[Er8 Zn12 Au16]'
_cell_volume [701.6429]
_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  0.0000  0.1126  0.5872  1.0
  Zn  Zn1  8  0.2500  0.2238  0.2500  1.0
  Zn  Zn2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0000  0.1828  0.9685  1.0
  Au  Au4  8  0.2500  0.0499  0.2500  1.0
]