data_[Dy6Fe6B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1734]
_cell_length_b [8.0032]
_cell_length_c [12.6828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Dy3Fe3B8]
_chemical_formula_sum '[Dy6 Fe6 B16]'
_cell_volume [322.1130]
_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
[
  Dy  Dy0  4  0.0000  0.0000  0.2235  1
  Dy  Dy1  2  0.0000  0.0000  0.5000  1
  Fe  Fe2  4  0.0000  0.2057  0.0000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
  B  B4  8  0.0000  0.2670  0.3797  1
  B  B5  8  0.0000  0.3165  0.1367  1
]