data_In2SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   5.05
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPd
_chemical_formula_sum   'In2 Sn1 Pd1'
_cell_volume   92.11
_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
  In  In0  1  0.8  0.53  0.0  1.0
  In  In1  1  0.0  0.53  0.54  1.0
  Sn  Sn3  1  0.8  0.0  0.54  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_In2SnPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.05
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2SnPd
_chemical_formula_sum   'In2 Sn1 Pd1'
_cell_volume   92.11
_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
  In  In0  1  0.0  0.53  0.54  1.0
  In  In1  1  0.8  0.53  0.0  1.0
  Sn  Sn2  1  0.8  0.0  0.54  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

In In Sn Pd
In In Sn Pd 0 3 + o o 0 3 + + o 0 1 + o - 0 1 + o o 1 2 - o o 1 2 - + o 2 3 + o o 2 3 + o + 