data_[Gd3Dy3Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.4650]
_cell_length_b [4.2372]
_cell_length_c [10.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [GdDyNi2]
_chemical_formula_sum '[Gd3 Dy3 Ni6]'
_cell_volume [245.6028]
_cell_formula_units_Z [3]
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  0.2584  0.0000  0.5477  1.0
  Gd  Gd1  1  0.4168  0.0000  0.2125  1.0
  Gd  Gd2  1  0.7419  0.5000  0.4533  1.0
  Dy  Dy3  1  0.1039  0.0000  0.8807  1.0
  Dy  Dy4  1  0.5837  0.5000  0.7879  1.0
  Dy  Dy5  1  0.8956  0.5000  0.1182  1.0
  Ni  Ni6  1  0.0535  0.5000  0.6921  1.0
  Ni  Ni7  1  0.2112  0.5000  0.3583  1.0
  Ni  Ni8  1  0.3793  0.5000  0.0233  1.0
  Ni  Ni9  1  0.6214  0.0000  0.9750  1.0
  Ni  Ni10  1  0.7880  0.0000  0.6429  1.0
  Ni  Ni11  1  0.9462  0.0000  0.3081  1.0
]