data_[La6Dy6Y4]
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 [Immm]
_cell_length_a [5.0782]
_cell_length_b [5.1318]
_cell_length_c [20.7045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Dy3Y2]
_chemical_formula_sum '[La6 Dy6 Y4]'
_cell_volume [539.5685]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3767  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.0000  0.1274  1.0
  Y  Y3  4  0.0000  0.5000  0.2518  1.0
  Dy  Dy4  2  0.0000  0.5000  0.0000  1.0
]