data_LiSbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.52
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSbPd2
_chemical_formula_sum   'Li1 Sb1 Pd2'
_cell_volume   66.73
_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  0.03  0.0  0.86  1.0
  Sb  Sb3  1  0.09  0.26  0.73  1.0
  Pd  Pd1  1  0.47  0.26  0.91  1.0
  Pd  Pd2  1  0.34  0.0  0.58  1.0

data_LiSbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.43
_cell_length_c   4.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSbPd2
_chemical_formula_sum   'Li1 Sb1 Pd2'
_cell_volume   66.73
_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  0.97  0.14  0.0  1.0
  Sb  Sb1  1  0.91  0.27  0.74  1.0
  Pd  Pd2  1  0.53  0.09  0.74  1.0
  Pd  Pd3  1  0.66  0.42  0.0  1.0

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