data_[Dy2Nb1Fe1Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9316]
_cell_length_b [3.9316]
_cell_length_c [7.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Dy2NbFeSi2]
_chemical_formula_sum '[Dy2 Nb1 Fe1 Si2]'
_cell_volume [115.5610]
_cell_formula_units_Z [1]
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  0.5000  0.6513  1
  Nb  Nb1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  1  0.5000  0.5000  0.0000  1
  Si  Si3  2  0.0000  0.5000  0.2265  1
]