data_In24Pd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86
_cell_length_b   9.86
_cell_length_c   9.86
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In24Pd5
_chemical_formula_sum   'In24 Pd5'
_cell_volume   738.31
_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  0.24  0.02  0.98  1.0
  In  In1  1  0.24  0.98  0.02  1.0
  In  In2  1  0.45  0.67  0.67  1.0
  In  In3  1  0.14  0.02  0.02  1.0
  In  In4  1  0.67  0.45  0.67  1.0
  In  In5  1  0.02  0.14  0.02  1.0
  In  In6  1  0.98  0.24  0.02  1.0
  In  In7  1  0.02  0.24  0.98  1.0
  In  In8  1  0.98  0.02  0.24  1.0
  In  In9  1  0.02  0.98  0.24  1.0
  In  In10  1  0.02  0.02  0.14  1.0
  In  In11  1  0.67  0.67  0.45  1.0
  In  In12  1  0.65  0.34  0.66  1.0
  In  In13  1  0.65  0.66  0.34  1.0
  In  In14  1  0.74  0.66  0.66  1.0
  In  In15  1  0.05  0.03  0.03  1.0
  In  In16  1  0.66  0.74  0.66  1.0
  In  In17  1  0.03  0.05  0.03  1.0
  In  In18  1  0.66  0.65  0.34  1.0
  In  In19  1  0.34  0.65  0.66  1.0
  In  In20  1  0.66  0.34  0.65  1.0
  In  In21  1  0.34  0.66  0.65  1.0
  In  In22  1  0.03  0.03  0.05  1.0
  In  In23  1  0.66  0.66  0.74  1.0
  Pd  Pd24  1  0.6  0.4  0.6  1.0
  Pd  Pd25  1  0.6  0.6  0.4  1.0
  Pd  Pd26  1  0.4  0.6  0.6  1.0
  Pd  Pd27  1  0.09  0.09  0.09  1.0
  Pd  Pd28  1  0.0  0.0  0.0  1.0

data_In24Pd5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   16.1
_cell_length_b   16.1
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In24Pd5
_chemical_formula_sum   'In72 Pd15'
_cell_volume   2214.92
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  18  0.1  0.21  0.55  1.0
  In  In1  18  0.16  0.06  0.08  1.0
  In  In2  9  0.01  0.0  0.04  1.0
  In  In3  9  0.05  0.03  0.69  1.0
  In  In4  9  0.07  0.93  0.6  1.0
  In  In5  9  0.08  0.04  0.06  1.0
  Pd  Pd6  9  0.07  0.14  0.53  1.0
  Pd  Pd7  3  0.0  0.0  0.0  1.0
  Pd  Pd8  3  0.0  0.0  0.09  1.0

In In In In In In In In In In In In In In In In In In In In In In In In Pd Pd Pd Pd Pd
In In In In In In In In In In In In In In In In In In In In In In In In Pd Pd Pd Pd Pd 0 1 o - + 0 3 o o + 1 3 o + o 2 26 o o o 3 28 o o o 3 27 o o o 3 22 o o o 3 17 o o o 3 15 o o o 4 24 o o o 5 7 o o - 5 6 - o o 5 28 o o o 5 27 o o o 5 22 o o o 5 17 o o o 5 15 o o o 6 7 + o - 8 9 + - o 8 10 + o o 9 10 o + o 10 28 o o o 10 17 o o o 10 27 o o o 10 22 o o o 10 15 o o o 11 25 o o o 12 20 o o o 13 18 o o o 14 23 o o o 14 16 o o o 15 22 o o o 15 17 o o o 15 27 o o o 15 28 o o o 16 23 o o o 17 22 o o o 17 27 o o o 17 28 o o o 19 21 o o o 22 27 o o o 22 28 o o o 