data_LiFePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   6.61
_cell_length_c   2.65
_cell_angle_alpha   82.55
_cell_angle_beta   74.72
_cell_angle_gamma   22.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePd
_chemical_formula_sum   'Li1 Fe1 Pd1'
_cell_volume   42.28
_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  Li1  1  0.51  0.18  0.61  1.0
  Fe  Fe0  1  0.51  0.18  0.84  1.0
  Pd  Pd2  1  0.51  0.18  0.3  1.0

data_LiFePd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.01
_cell_length_b   12.87
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   124.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiFePd
_chemical_formula_sum   'Li2 Fe2 Pd2'
_cell_volume   84.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.2  0.5  0.88  1.0
  Fe  Fe1  2  0.47  0.0  0.65  1.0
  Pd  Pd2  2  0.02  0.0  0.2  1.0

Li Fe Pd
Li Fe Pd 0 1 o o o 0 2 o o o 