data_[Er6Al16Ag6]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4181]
_cell_length_b [9.7060]
_cell_length_c [12.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Al8Ag3]
_chemical_formula_sum '[Er6 Al16 Ag6]'
_cell_volume [545.8866]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.2030  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  8  0.0000  0.2837  0.3640  1.0
  Al  Al3  8  0.0000  0.3670  0.1592  1.0
  Ag  Ag4  4  0.0000  0.1971  0.0000  1.0
  Ag  Ag5  2  0.0000  0.5000  0.5000  1.0
]