data_CaInPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInPt3
_chemical_formula_sum   'Ca1 In1 Pt3'
_cell_volume   123.22
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In4  1  0.49  0.49  0.49  1.0
  Pt  Pt1  1  0.0  0.49  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.49  1.0
  Pt  Pt3  1  0.49  0.0  0.0  1.0

data_CaInPt3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaInPt3
_chemical_formula_sum   'Ca3 In3 Pt9'
_cell_volume   369.67
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Ca  Ca0  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.49  1.0
  Pt  Pt2  9  0.17  0.34  0.83  1.0

Ca In Pt Pt Pt
CaPt3In is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ca(1) is bonded to six equivalent Pt(1) atoms to form corner-sharing CaPt6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.43 Å) and three longer (2.55 Å) Ca(1)-Pt(1) bond lengths. Pt(1) is bonded in a linear geometry to two equivalent Ca(1) and four equivalent In(1) atoms. There are a spread of Pt(1)-In(1) bond distances ranging from 3.43-3.60 Å. In(1) is bonded in a 12-coordinate geometry to twelve equivalent Pt(1) atoms.