data_[Dy2Fe20Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7267]
_cell_length_b [8.5157]
_cell_length_c [8.6289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Dy(Fe5Mo)2]
_chemical_formula_sum '[Dy2 Fe20 Mo4]'
_cell_volume [347.3281]
_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  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  8  0.2500  0.2500  0.2500  1.0
  Fe  Fe2  4  0.0000  0.2816  0.5000  1.0
  Fe  Fe3  4  0.0000  0.3572  0.0000  1.0
  Fe  Fe4  4  0.0000  0.5000  0.2746  1.0
  Mo  Mo5  4  0.0000  0.0000  0.3578  1.0
]