data_LiSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Pd
_chemical_formula_sum   'Li1 Sb2 Pd1'
_cell_volume   80.83
_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
  Sb  Sb2  1  0.56  0.01  0.63  1.0
  Sb  Sb3  1  0.56  0.99  0.63  1.0
  Pd  Pd1  1  0.13  0.0  0.0  1.0

data_LiSb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   103.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSb2Pd
_chemical_formula_sum   'Li1 Sb2 Pd1'
_cell_volume   80.83
_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
  Sb  Sb1  1  0.63  0.56  0.01  1.0
  Sb  Sb2  1  0.63  0.56  0.99  1.0
  Pd  Pd3  1  -0.0  0.13  0.0  1.0

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