data_[Sc6Al4Ag8]
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 [C2/m]
_cell_length_a [10.1625]
_cell_length_b [4.6039]
_cell_length_c [8.5969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(AlAg2)2]
_chemical_formula_sum '[Sc6 Al4 Ag8]'
_cell_volume [343.3038]
_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  0.1634  0.5000  0.6711  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1167  0.5000  0.2862  1.0
  Ag  Ag3  4  0.0654  0.0000  0.3919  1.0
  Ag  Ag4  4  0.2126  0.5000  0.0578  1.0
]