data_[Sc8Ag4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4437]
_cell_length_b [6.0848]
_cell_length_c [5.8978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sc2AgSn3]
_chemical_formula_sum '[Sc8 Ag4 Sn12]'
_cell_volume [545.9826]
_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  8  0.1660  0.3653  0.5850  1.0
  Ag  Ag1  4  0.0000  0.0329  0.7500  1.0
  Sn  Sn2  8  0.1639  0.1338  0.0750  1.0
  Sn  Sn3  4  0.0000  0.4580  0.2500  1.0
]