data_[La36Dy21Ho3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [19.6188]
_cell_length_b [19.6188]
_cell_length_c [6.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La12Dy7Ho]
_chemical_formula_sum '[La36 Dy21 Ho3]'
_cell_volume [2123.3138]
_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  0.4080  0.5000  1
  La  La1  18  0.0971  0.5486  0.9764  1
  Dy  Dy2  18  0.0825  0.1651  0.8029  1
  Dy  Dy3  3  0.0000  0.0000  0.5000  1
  Ho  Ho4  3  0.0000  0.0000  0.0000  1
]