data_[Er4Si4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0974]
_cell_length_b [4.7045]
_cell_length_c [8.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErSiAu3]
_chemical_formula_sum '[Er4 Si4 Au12]'
_cell_volume [384.5233]
_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  0.2291  0.2500  0.0096  1
  Si  Si1  4  0.1303  0.2500  0.6839  1
  Au  Au2  4  0.0728  0.2500  0.4180  1
  Au  Au3  4  0.0948  0.7500  0.1621  1
  Au  Au4  4  0.1147  0.7500  0.8312  1
]