data_LiHfPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.33
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfPd2
_chemical_formula_sum   'Li1 Hf1 Pd2'
_cell_volume   64.46
_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  Li1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.88  0.0  0.96  1.0
  Pd  Pd2  1  0.55  0.67  0.41  1.0
  Pd  Pd3  1  0.47  0.67  0.52  1.0

data_LiHfPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.33
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   92.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfPd2
_chemical_formula_sum   'Li1 Hf1 Pd2'
_cell_volume   64.46
_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  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.88  0.0  0.96  1.0
  Pd  Pd2  1  0.47  0.67  0.52  1.0
  Pd  Pd3  1  0.55  0.67  0.41  1.0

Li Hf Pd Pd