data_[Er8Al12Ag16]
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 [Cmce]
_cell_length_a [5.7313]
_cell_length_b [15.7941]
_cell_length_c [7.8628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Er2Al3Ag4]
_chemical_formula_sum '[Er8 Al12 Ag16]'
_cell_volume [711.7427]
_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  0.0000  0.1027  0.6014  1.0
  Al  Al1  8  0.2500  0.2372  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  8  0.0000  0.1765  0.9839  1.0
  Ag  Ag4  8  0.2500  0.0661  0.2500  1.0
]