data_[Er8Be24Au80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3947]
_cell_length_b [12.3947]
_cell_length_c [12.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [ErBe3Au10]
_chemical_formula_sum '[Er8 Be24 Au80]'
_cell_volume [1904.2021]
_cell_formula_units_Z [8]
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  0.2500  0.2500  0.2500  1
  Be  Be1  24  0.0000  0.0000  0.2644  1
  Au  Au2  48  0.0000  0.1694  0.1694  1
  Au  Au3  32  0.1147  0.1147  0.3853  1
]