data_Li3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   9.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Pd
_chemical_formula_sum   'Li12 Pd4'
_cell_volume   238.36
_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  0.62  0.39  0.0  1.0
  Li  Li1  1  0.62  0.39  0.5  1.0
  Li  Li2  1  0.0  0.5  0.75  1.0
  Li  Li3  1  0.54  0.04  0.75  1.0
  Li  Li4  1  0.3  0.75  0.25  1.0
  Li  Li5  1  0.77  0.0  0.0  1.0
  Li  Li6  1  0.77  0.0  0.5  1.0
  Li  Li7  1  0.38  0.39  0.0  1.0
  Li  Li8  1  0.38  0.39  0.5  1.0
  Li  Li9  1  0.46  0.04  0.75  1.0
  Li  Li10  1  0.23  0.75  0.25  1.0
  Li  Li11  1  0.77  0.29  0.25  1.0
  Pd  Pd12  1  0.0  0.0  0.0  1.0
  Pd  Pd13  1  0.0  0.0  0.5  1.0
  Pd  Pd14  1  0.0  0.19  0.25  1.0
  Pd  Pd15  1  0.77  0.6  0.75  1.0

data_Li3Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.53
_cell_length_b   9.0
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li3Pd
_chemical_formula_sum   'Li12 Pd4'
_cell_volume   238.36
_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  0.38  0.25  0.39  1.0
  Li  Li1  2  0.62  0.25  0.39  1.0
  Li  Li2  2  0.77  0.25  0.0  1.0
  Li  Li3  1  0.0  0.0  0.5  1.0
  Li  Li4  1  0.23  0.5  0.75  1.0
  Li  Li5  1  0.3  0.5  0.75  1.0
  Li  Li6  1  0.46  0.0  0.04  1.0
  Li  Li7  1  0.54  0.0  0.04  1.0
  Li  Li8  1  0.77  0.5  0.29  1.0
  Pd  Pd9  2  0.0  0.25  0.0  1.0
  Pd  Pd10  1  0.0  0.5  0.19  1.0
  Pd  Pd11  1  0.77  0.0  0.6  1.0

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