data_[Er8Al8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6579]
_cell_length_b [4.4590]
_cell_length_c [10.5408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Al2Au]
_chemical_formula_sum '[Er8 Al8 Au4]'
_cell_volume [445.4354]
_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  0.0051  0.0000  0.3263  1
  Er  Er1  4  0.1832  0.0000  0.1064  1
  Al  Al2  4  0.0229  0.5000  0.8865  1
  Al  Al3  4  0.1431  0.5000  0.5559  1
  Au  Au4  4  0.2253  0.5000  0.3399  1
]