data_Li3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   5.5
_cell_length_c   4.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Pd
_chemical_formula_sum   'Li6 Pd2'
_cell_volume   117.65
_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  1  0.0  0.0  0.06  1.0
  Li  Li1  1  0.25  0.36  0.92  1.0
  Li  Li2  1  0.0  0.39  0.84  1.0
  Li  Li3  1  0.25  0.75  0.7  1.0
  Li  Li4  1  0.25  0.14  0.92  1.0
  Li  Li5  1  0.0  0.11  0.84  1.0
  Pd  Pd6  1  0.25  0.0  0.51  1.0
  Pd  Pd7  1  0.0  0.75  0.25  1.0

data_Li3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.76
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Pd
_chemical_formula_sum   'Li6 Pd2'
_cell_volume   117.65
_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  1  0.0  0.16  0.61  1.0
  Li  Li1  1  0.0  0.16  0.89  1.0
  Li  Li2  1  0.0  0.94  0.0  1.0
  Li  Li3  1  0.75  0.08  0.64  1.0
  Li  Li4  1  0.75  0.08  0.86  1.0
  Li  Li5  1  0.75  0.3  0.25  1.0
  Pd  Pd6  1  0.0  0.75  0.25  1.0
  Pd  Pd7  1  0.75  0.49  0.0  1.0

Li Li Li Li Li Li Pd Pd