data_[Er20Zn8Au8]
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 [16.2355]
_cell_length_b [7.3407]
_cell_length_c [7.3776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er5(ZnAu)2]
_chemical_formula_sum '[Er20 Zn8 Au8]'
_cell_volume [879.2601]
_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  0.1419  0.1765  0.6726  1.0
  Er  Er1  4  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0000  0.1192  0.3791  1.0
  Au  Au3  8  0.2104  0.0000  0.0000  1.0
]