data_[La6Dy6Y45]
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
  Y  1.2200  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4081]
_cell_length_b [11.4081]
_cell_length_c [17.6206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Dy2Y15]
_chemical_formula_sum '[La6 Dy6 Y45]'
_cell_volume [1986.0066]
_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  6  0.0000  0.0000  0.3288  1
  Y  Y1  18  0.0000  0.2972  0.0000  1
  Y  Y2  18  0.0096  0.5048  0.1397  1
  Y  Y3  9  0.0000  0.5000  0.5000  1
  Dy  Dy4  6  0.0000  0.0000  0.0964  1
]