data_[Er12Ag4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.5392]
_cell_length_b [15.6146]
_cell_length_c [3.7291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er3AgAu]
_chemical_formula_sum '[Er12 Ag4 Au4]'
_cell_volume [555.4510]
_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  8  0.1906  0.1102  0.5000  1
  Er  Er1  4  0.0000  0.3507  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  2  0.0000  0.5000  0.5000  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
]