data_LiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   4.03
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPd2
_chemical_formula_sum   'Li4 Pd8'
_cell_volume   171.5
_cell_formula_units_Z   4
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  0.93  0.01  0.16  1.0
  Li  Li1  1  0.75  0.02  0.19  1.0
  Li  Li2  1  0.61  0.01  0.74  1.0
  Li  Li3  1  0.43  0.02  0.78  1.0
  Pd  Pd4  1  0.31  0.01  0.82  1.0
  Pd  Pd5  1  0.87  0.01  0.54  1.0
  Pd  Pd6  1  0.81  0.02  0.57  1.0
  Pd  Pd7  1  0.37  0.02  0.78  1.0
  Pd  Pd8  1  0.99  0.01  0.15  1.0
  Pd  Pd9  1  0.55  0.01  0.36  1.0
  Pd  Pd10  1  0.49  0.02  0.39  1.0
  Pd  Pd11  1  0.05  0.02  0.12  1.0

data_LiPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.03
_cell_length_b   5.36
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiPd2
_chemical_formula_sum   'Li4 Pd8'
_cell_volume   171.5
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.49  0.25  0.19  1.0
  Li  Li1  2  0.49  0.93  0.78  1.0
  Pd  Pd2  2  0.49  0.19  0.57  1.0
  Pd  Pd3  2  0.49  0.31  0.18  1.0
  Pd  Pd4  2  0.49  0.63  0.85  1.0
  Pd  Pd5  2  0.49  0.87  0.39  1.0

Li Li Li Li Pd Pd Pd Pd Pd Pd Pd Pd