data_[Dy8Fe56B4]
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 [P4_2/mnm]
_cell_length_a [8.7129]
_cell_length_b [8.7129]
_cell_length_c [11.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Dy2Fe14B]
_chemical_formula_sum '[Dy8 Fe56 B4]'
_cell_volume [904.1736]
_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  0.1434  0.8566  0.0000  1
  Dy  Dy1  4  0.2327  0.7673  0.5000  1
  Fe  Fe2  16  0.0372  0.3587  0.1747  1
  Fe  Fe3  16  0.0663  0.2756  0.3734  1
  Fe  Fe4  8  0.0971  0.0971  0.2007  1
  Fe  Fe5  8  0.1827  0.8173  0.2540  1
  Fe  Fe6  4  0.0000  0.0000  0.3844  1
  Fe  Fe7  4  0.0000  0.5000  0.0000  1
  B  B8  4  0.1250  0.1250  0.5000  1
]