data_InPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   137.09
_cell_angle_beta   137.09
_cell_angle_gamma   62.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPd
_chemical_formula_sum   'In2 Pd2'
_cell_volume   73.01
_cell_formula_units_Z   2
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  0.98  0.0  0.32  1.0
  In  In1  1  0.0  0.0  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.98  0.32  1.0

data_InPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.42
_cell_angle_alpha   111.45
_cell_angle_beta   111.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPd
_chemical_formula_sum   'In2 Pd2'
_cell_volume   73.01
_cell_formula_units_Z   2
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  0.32  0.34  0.34  1.0
  In  In1  1  0.64  0.64  0.64  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.34  0.32  0.34  1.0

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