data_[Er3Be12Au24]
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 [R-3m]
_cell_length_a [5.9607]
_cell_length_b [5.9607]
_cell_length_c [22.3747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er(BeAu2)4]
_chemical_formula_sum '[Er3 Be12 Au24]'
_cell_volume [688.4779]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Be  Be1  9  0.0000  0.5000  0.0000  1
  Be  Be2  3  -0.0000  -0.0000  0.5000  1
  Au  Au3  18  0.0087  0.5044  0.7707  1
  Au  Au4  6  0.0000  0.0000  0.2694  1
]