data_[Sc8Si4Ag8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.9864]
_cell_length_b [4.4953]
_cell_length_c [10.9921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc2SiAg2Sn]
_chemical_formula_sum '[Sc8 Si4 Ag8 Sn4]'
_cell_volume [511.5481]
_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
[
  Sc  Sc0  1  0.1121  0.5000  0.1152  1
  Sc  Sc1  1  0.2463  0.0000  0.4908  1
  Sc  Sc2  1  0.3815  0.5000  0.8726  1
  Sc  Sc3  1  0.5082  0.0000  0.2598  1
  Sc  Sc4  1  0.6288  0.5000  0.6305  1
  Sc  Sc5  1  0.7471  0.0000  0.9994  1
  Sc  Sc6  1  0.8751  0.5000  0.3817  1
  Sc  Sc7  1  0.9954  0.0000  0.7480  1
  Si  Si8  1  0.5040  0.0000  0.7526  1
  Si  Si9  1  0.7519  0.0000  0.5041  1
  Si  Si10  1  0.8722  0.5000  0.8737  1
  Si  Si11  1  0.9981  0.0000  0.2454  1
  Ag  Ag12  1  0.1133  0.5000  0.3608  1
  Ag  Ag13  1  0.2602  0.0000  0.7468  1
  Ag  Ag14  1  0.3738  0.5000  0.1255  1
  Ag  Ag15  1  0.5094  0.0000  0.5133  1
  Ag  Ag16  1  0.6280  0.5000  0.8709  1
  Ag  Ag17  1  0.7624  0.0000  0.2608  1
  Ag  Ag18  1  0.8693  0.5000  0.6280  1
  Ag  Ag19  1  0.9875  0.0000  0.9949  1
  Sn  Sn20  1  0.1253  0.5000  0.6222  1
  Sn  Sn21  1  0.2472  0.0000  0.9974  1
  Sn  Sn22  1  0.3753  0.5000  0.3773  1
  Sn  Sn23  1  0.6279  0.5000  0.1283  1
]