data_LiTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   4.54
_cell_length_c   4.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTePd2
_chemical_formula_sum   'Li1 Te1 Pd2'
_cell_volume   69.84
_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  0.28  1.0
  Te  Te3  1  0.75  0.27  0.99  1.0
  Pd  Pd1  1  0.0  0.27  0.25  1.0
  Pd  Pd2  1  0.75  0.0  0.44  1.0

data_LiTePd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.38
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTePd2
_chemical_formula_sum   'Li1 Te1 Pd2'
_cell_volume   69.84
_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  0.72  0.0  1.0
  Te  Te1  1  0.25  0.01  0.73  1.0
  Pd  Pd2  1  0.0  0.75  0.73  1.0
  Pd  Pd3  1  0.25  0.56  0.0  1.0

Li Te Pd Pd
Li Te Pd Pd 0 3 - o o 0 2 o o o 1 2 + o + 