data_[Sc24Ni12Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [9.0157]
_cell_length_b [9.0157]
_cell_length_c [9.0157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Sc12Ni6Ag]
_chemical_formula_sum '[Sc24 Ni12 Ag2]'
_cell_volume [732.8182]
_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  24  0.0000  0.1862  0.2964  1
  Ni  Ni1  12  0.0000  0.3679  0.5000  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
]