data_[Sc16Fe4Ag2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.8631]
_cell_length_b [14.4561]
_cell_length_c [6.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sc8Fe2Ag]
_chemical_formula_sum '[Sc16 Fe4 Ag2]'
_cell_volume [443.2257]
_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  0.0000  0.1129  0.8215  1
  Sc  Sc1  4  0.0000  0.2881  0.4843  1
  Sc  Sc2  4  0.0000  0.3360  0.9513  1
  Sc  Sc3  2  0.0000  0.0000  0.3690  1
  Sc  Sc4  2  0.0000  0.5000  0.5915  1
  Fe  Fe5  4  0.0000  0.1690  0.1819  1
  Ag  Ag6  2  0.0000  0.5000  0.1654  1
]