data_[La36Dy3Ho21]
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-3]
_cell_length_a [12.4850]
_cell_length_b [12.4850]
_cell_length_c [15.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12DyHo7]
_chemical_formula_sum '[La36 Dy3 Ho21]'
_cell_volume [2086.7164]
_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  0.0132  0.5750  0.7206  1
  La  La1  18  0.0663  0.4696  0.0780  1
  Dy  Dy2  3  0.0000  0.0000  0.0000  1
  Ho  Ho3  18  0.0511  0.8675  0.8080  1
  Ho  Ho4  3  -0.0000  0.0000  0.5000  1
]