data_[Li3Dy6Hf3]
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
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.3484]
_cell_length_b [3.3484]
_cell_length_c [33.2214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiDy2Hf]
_chemical_formula_sum '[Li3 Dy6 Hf3]'
_cell_volume [322.5660]
_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  0.5002  1
  Dy  Dy1  3  0.0000  0.0000  0.0787  1
  Dy  Dy2  3  0.0000  0.0000  0.2547  1
  Hf  Hf3  3  0.0000  0.0000  0.6667  1
]