data_InPt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt4
_chemical_formula_sum   'In4 Pt16'
_cell_volume   374.89
_cell_formula_units_Z   4
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  0.1  0.9  0.9  1.0
  In  In1  1  0.9  0.1  0.9  1.0
  In  In2  1  0.9  0.9  0.1  1.0
  In  In3  1  0.64  0.64  0.64  1.0
  Pt  Pt4  1  0.55  0.45  0.45  1.0
  Pt  Pt5  1  0.45  0.55  0.45  1.0
  Pt  Pt6  1  0.45  0.45  0.55  1.0
  Pt  Pt7  1  0.09  0.09  0.09  1.0
  Pt  Pt8  1  0.13  0.0  0.0  1.0
  Pt  Pt9  1  0.96  0.0  0.0  1.0
  Pt  Pt10  1  0.0  0.96  0.0  1.0
  Pt  Pt11  1  0.0  0.13  0.0  1.0
  Pt  Pt12  1  0.0  0.0  0.96  1.0
  Pt  Pt13  1  0.0  0.0  0.13  1.0
  Pt  Pt14  1  0.27  0.54  0.0  1.0
  Pt  Pt15  1  0.27  0.0  0.54  1.0
  Pt  Pt16  1  0.54  0.27  0.0  1.0
  Pt  Pt17  1  0.0  0.27  0.54  1.0
  Pt  Pt18  1  0.0  0.54  0.27  1.0
  Pt  Pt19  1  0.54  0.0  0.27  1.0

data_InPt4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.85
_cell_length_b   12.85
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InPt4
_chemical_formula_sum   'In12 Pt48'
_cell_volume   1124.66
_cell_formula_units_Z   12
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  9  0.13  0.06  0.97  1.0
  In  In1  3  0.0  0.0  0.64  1.0
  Pt  Pt2  18  -0.0  0.27  0.27  1.0
  Pt  Pt3  9  0.01  0.03  0.99  1.0
  Pt  Pt4  9  0.07  0.03  0.48  1.0
  Pt  Pt5  9  0.09  0.04  0.04  1.0
  Pt  Pt6  3  0.0  0.0  0.09  1.0

In In In In Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Pt4In crystallizes in the trigonal R3m space group. There are five inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 3-coordinate geometry to two equivalent Pt(1), two equivalent Pt(5), and one In(2) atom. Both Pt(1)-Pt(1) bond lengths are 1.27 Å. Both Pt(1)-Pt(5) bond lengths are 3.32 Å. The Pt(1)-In(2) bond length is 1.43 Å. In the second Pt site, Pt(2) is bonded in a 6-coordinate geometry to three equivalent Pt(3) and three equivalent Pt(4) atoms. All Pt(2)-Pt(3) bond lengths are 1.02 Å. All Pt(2)-Pt(4) bond lengths are 0.89 Å. In the third Pt site, Pt(3) is bonded in a distorted single-bond geometry to one Pt(2), two equivalent Pt(5), and one In(1) atom. Both Pt(3)-Pt(5) bond lengths are 3.25 Å. The Pt(3)-In(1) bond length is 0.77 Å. In the fourth Pt site, Pt(4) is bonded in a 2-coordinate geometry to one Pt(2) and two equivalent Pt(4) atoms. Both Pt(4)-Pt(4) bond lengths are 0.55 Å. In the fifth Pt site, Pt(5) is bonded in a 7-coordinate geometry to one Pt(1), one Pt(3), four equivalent Pt(5), and one In(1) atom. There are two shorter (2.96 Å) and two longer (3.48 Å) Pt(5)-Pt(5) bond lengths. The Pt(5)-In(1) bond length is 3.35 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a single-bond geometry to one Pt(3) and two equivalent Pt(5) atoms. In the second In site, In(2) is bonded in a 3-coordinate geometry to three equivalent Pt(1) atoms.