data_[La36Pr3Dy21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.7080]
_cell_length_b [13.7080]
_cell_length_c [12.9271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La12PrDy7]
_chemical_formula_sum '[La36 Pr3 Dy21]'
_cell_volume [2103.6944]
_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
[
  La  La0  18  0.0000  0.2603  0.5000  1
  La  La1  18  0.0892  0.1785  0.2658  1
  Pr  Pr2  3  0.0000  0.0000  0.0000  1
  Dy  Dy3  18  0.0458  0.5229  0.6175  1
  Dy  Dy4  3  0.0000  0.0000  0.5000  1
]