data_[Li4Y2Hf2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.4055]
_cell_length_b [4.2373]
_cell_length_c [13.3091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li2YHf]
_chemical_formula_sum '[Li4 Y2 Hf2]'
_cell_volume [192.0522]
_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
[
  Li  Li0  2  0.0000  0.5000  0.3353  1.0
  Li  Li1  2  0.0000  0.5000  0.5537  1.0
  Y  Y2  2  0.0000  0.5000  0.8091  1.0
  Hf  Hf3  2  0.0000  0.5000  0.0510  1.0
]