data_[Gd1Dy2Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Dy  1.2200  1.7500  1.1310
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1328]
_cell_length_b [4.1328]
_cell_length_c [6.7771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [GdDy2Sn]
_chemical_formula_sum '[Gd1 Dy2 Sn1]'
_cell_volume [115.7510]
_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
[
  Gd  Gd0  1  0.5000  0.5000  0.5000  1
  Dy  Dy1  2  0.0000  0.0000  0.2289  1
  Sn  Sn2  1  0.5000  0.5000  0.0000  1
]