data_[Li2Hf1Sc1Al2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.4848]
_cell_length_b [4.4848]
_cell_length_c [6.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Li2HfSc(AlPd)2]
_chemical_formula_sum '[Li2 Hf1 Sc1 Al2 Pd2]'
_cell_volume [127.0547]
_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
[
  Li  Li0  2  0.0000  0.5000  0.7455  1
  Hf  Hf1  1  0.0000  0.0000  0.0000  1
  Sc  Sc2  1  0.5000  0.5000  0.5000  1
  Al  Al3  1  0.0000  0.0000  0.5000  1
  Al  Al4  1  0.5000  0.5000  0.0000  1
  Pd  Pd5  2  0.0000  0.5000  0.2453  1
]