data_[Li3Dy36Al18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.9536]
_cell_length_b [13.9536]
_cell_length_c [9.4944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(Dy2Al)6]
_chemical_formula_sum '[Li3 Dy36 Al18]'
_cell_volume [1600.9359]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0000  1
  Dy  Dy1  18  0.0523  0.2505  0.9162  1
  Dy  Dy2  18  0.0565  0.2007  0.2817  1
  Al  Al3  18  0.0664  0.2449  0.5895  1
]