data_InPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InPt3
_chemical_formula_sum   'In2 Pt6'
_cell_volume   138.92
_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  0.59  0.59  0.59  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.59  0.88  0.0  1.0
  Pt  Pt3  1  0.59  0.29  0.0  1.0
  Pt  Pt4  1  0.88  0.0  0.59  1.0
  Pt  Pt5  1  0.0  0.59  0.88  1.0
  Pt  Pt6  1  0.0  0.59  0.29  1.0
  Pt  Pt7  1  0.29  0.0  0.59  1.0

data_InPt3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   8.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   InPt3
_chemical_formula_sum   'In6 Pt18'
_cell_volume   416.75
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  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'
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  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.59  1.0
  Pt  Pt2  9  -0.0  0.71  0.29  1.0
  Pt  Pt3  9  0.06  0.24  0.82  1.0

In In Pt Pt Pt Pt Pt Pt
Pt3In crystallizes in the trigonal R3 space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 1-coordinate geometry to one Pt(2), one In(1), and one In(2) atom. The Pt(1)-Pt(2) bond length is 2.13 Å. The Pt(1)-In(1) bond length is 2.62 Å. The Pt(1)-In(2) bond length is 2.21 Å. In the second Pt site, Pt(2) is bonded in a 3-coordinate geometry to one Pt(1), one In(1), and one In(2) atom. The Pt(2)-In(1) bond length is 2.62 Å. The Pt(2)-In(2) bond length is 2.62 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms. In the second In site, In(2) is bonded in a 3-coordinate geometry to three equivalent Pt(1) and three equivalent Pt(2) atoms.