data_In3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   21.16
_cell_angle_beta   21.16
_cell_angle_gamma   21.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3Pd
_chemical_formula_sum   'In3 Pd1'
_cell_volume   91.45
_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  0.0  0.11  1.0
  In  In1  1  0.0  0.0  0.61  1.0
  In  In2  1  0.0  0.0  0.12  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_In3Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   3.41
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In3Pd
_chemical_formula_sum   'In6 Pd2'
_cell_volume   182.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.39  1.0
  In  In1  2  0.0  0.0  0.88  1.0
  In  In2  2  0.0  0.0  0.89  1.0
  Pd  Pd3  2  0.0  0.0  0.0  1.0

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