data_KCaInPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaInPt
_chemical_formula_sum   'K1 Ca1 In1 Pt1'
_cell_volume   100.07
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.53  0.53  0.53  1.0
  In  In1  1  0.68  0.68  0.68  1.0
  Pt  Pt3  1  0.84  0.84  0.84  1.0

data_KCaInPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KCaInPt
_chemical_formula_sum   'K3 Ca3 In3 Pt3'
_cell_volume   300.22
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Ca  Ca1  3  0.0  0.0  0.47  1.0
  In  In2  3  0.0  0.0  0.32  1.0
  Pt  Pt3  3  0.0  0.0  0.16  1.0

K Ca In Pt
KCaPtIn crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to one Pt(1) and three equivalent In(1) atoms. The K(1)-Pt(1) bond length is 2.01 Å. All K(1)-In(1) bond lengths are 3.02 Å. Ca(1) is bonded to three equivalent Pt(1) and one In(1) atom to form distorted CaInPt3 trigonal pyramids that share corners with three equivalent In(1)K3CaPt trigonal bipyramids and corners with six equivalent Ca(1)InPt3 trigonal pyramids. All Ca(1)-Pt(1) bond lengths are 3.02 Å. The Ca(1)-In(1) bond length is 2.01 Å. Pt(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent Ca(1), and one In(1) atom. The Pt(1)-In(1) bond length is 2.01 Å. In(1) is bonded to three equivalent K(1), one Ca(1), and one Pt(1) atom to form distorted InK3CaPt trigonal bipyramids that share corners with six equivalent In(1)K3CaPt trigonal bipyramids and corners with three equivalent Ca(1)InPt3 trigonal pyramids.