data_[La1Dy2Y12]
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 [Pmmm]
_cell_length_a [3.5409]
_cell_length_b [5.6840]
_cell_length_c [24.9477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [La(DyY6)2]
_chemical_formula_sum '[La1 Dy2 Y12]'
_cell_volume [502.1008]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Y  Y1  2  0.0000  0.0000  0.2019  1
  Y  Y2  2  0.0000  0.0000  0.3275  1
  Y  Y3  2  0.0000  0.5000  0.1329  1
  Y  Y4  2  0.0000  0.5000  0.4137  1
  Y  Y5  2  0.5000  0.0000  0.0807  1
  Y  Y6  2  0.5000  0.0000  0.4384  1
  Dy  Dy7  2  0.5000  0.5000  0.2695  1
]