data_[Dy4Sc4Si16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.1585]
_cell_length_b [14.3525]
_cell_length_c [3.8518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [DyScSi4]
_chemical_formula_sum '[Dy4 Sc4 Si16]'
_cell_volume [451.0305]
_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
[
  Dy  Dy0  4  0.1112  0.1355  0.0000  1
  Sc  Sc1  4  0.1419  0.4135  0.0000  1
  Si  Si2  4  0.0272  0.2947  0.5000  1
  Si  Si3  4  0.1193  0.5586  0.5000  1
  Si  Si4  4  0.1295  0.9666  0.5000  1
  Si  Si5  4  0.1890  0.8057  0.5000  1
]