data_LiPd2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPd2Pb
_chemical_formula_sum   'Li1 Pd2 Pb1'
_cell_volume   69.0
_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
  Pd  Pd2  1  0.26  0.0  0.97  1.0
  Pd  Pd3  1  0.26  0.0  0.42  1.0
  Pb  Pb1  1  0.0  0.0  0.19  1.0

data_LiPd2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPd2Pb
_chemical_formula_sum   'Li1 Pd2 Pb1'
_cell_volume   69.0
_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
  Pd  Pd1  1  0.26  0.0  0.42  1.0
  Pd  Pd2  1  0.26  0.0  0.97  1.0
  Pb  Pb3  1  0.0  0.0  0.19  1.0

Li Pd Pd Pb
Li Pd Pd Pb 0 1 o o - 0 3 o o o 2 3 o o o 