data_[Sc16Ni4Ag2]
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 [C2/m]
_cell_length_a [16.5049]
_cell_length_b [3.3545]
_cell_length_c [8.5996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ni2Ag]
_chemical_formula_sum '[Sc16 Ni4 Ag2]'
_cell_volume [465.5103]
_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  0.0273  0.0000  0.6895  1
  Sc  Sc1  4  0.1337  0.0000  0.1760  1
  Sc  Sc2  4  0.1546  0.5000  0.5030  1
  Sc  Sc3  4  0.1809  0.5000  0.8813  1
  Ni  Ni4  4  0.2446  0.0000  0.7161  1
  Ag  Ag5  2  0.0000  0.5000  0.0000  1
]