data_[Sc12Al6Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.4071]
_cell_length_b [10.8349]
_cell_length_c [4.7898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Sc6Al3Ag]
_chemical_formula_sum '[Sc12 Al6 Ag2]'
_cell_volume [436.3014]
_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
[
  Sc  Sc0  4  0.0073  0.7524  0.0000  1
  Sc  Sc1  4  0.1679  0.5981  0.5000  1
  Sc  Sc2  4  0.1728  0.9052  0.5000  1
  Al  Al3  4  0.1605  0.2724  0.5000  1
  Al  Al4  2  0.0000  0.5000  0.0000  1
  Ag  Ag5  2  0.0000  0.0000  0.0000  1
]