data_[Li2Hf2Pd8]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4418]
_cell_length_b [3.6211]
_cell_length_c [5.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHfPd4]
_chemical_formula_sum '[Li2 Hf2 Pd8]'
_cell_volume [188.6226]
_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  0.0000  0.5000  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1556  0.5000  0.3356  1
  Pd  Pd3  4  0.1616  0.5000  0.8237  1
]