data_In2PdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   4.8
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PdCl
_chemical_formula_sum   'In2 Pd1 Cl1'
_cell_volume   91.86
_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  In1  1  0.81  0.0  0.64  1.0
  In  In2  1  0.81  0.4  0.0  1.0
  Pd  Pd3  1  0.0  0.4  0.64  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_In2PdCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.8
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PdCl
_chemical_formula_sum   'In2 Pd1 Cl1'
_cell_volume   91.86
_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  0.81  0.0  0.64  1.0
  In  In1  1  0.81  0.4  0.0  1.0
  Pd  Pd2  1  0.0  0.4  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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