data_LiIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.88
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIr2Pd
_chemical_formula_sum   'Li1 Ir2 Pd1'
_cell_volume   57.54
_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  Li2  1  0.0  0.0  0.79  1.0
  Ir  Ir0  1  0.0  0.0  0.17  1.0
  Ir  Ir1  1  0.37  0.94  0.24  1.0
  Pd  Pd3  1  0.37  0.94  0.94  1.0

data_LiIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.88
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIr2Pd
_chemical_formula_sum   'Li1 Ir2 Pd1'
_cell_volume   57.54
_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  0.79  1.0
  Ir  Ir1  1  0.0  0.0  0.17  1.0
  Ir  Ir2  1  0.37  0.94  0.24  1.0
  Pd  Pd3  1  0.37  0.94  0.94  1.0

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