data_BaTiBiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiBiPt
_chemical_formula_sum   'Ba1 Ti1 Bi1 Pt1'
_cell_volume   98.61
_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
  Ba  Ba0  1  0.83  0.83  0.83  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.5  0.5  0.5  1.0
  Pt  Pt2  1  0.67  0.67  0.67  1.0

data_BaTiBiPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaTiBiPt
_chemical_formula_sum   'Ba3 Ti3 Bi3 Pt3'
_cell_volume   295.83
_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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Ti  Ti1  3  0.0  0.0  1.0  1.0
  Bi  Bi2  3  0.0  0.0  0.5  1.0
  Pt  Pt3  3  0.0  0.0  0.33  1.0

Ba Ti Bi Pt
Ba Ti Bi Pt 0 3 o o o 0 1 + + + 2 3 o o o 
BaTiPtBi crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 5-coordinate geometry to one Ti(1), one Pt(1), and three equivalent Bi(1) atoms. The Ba(1)-Ti(1) bond length is 2.12 Å. The Ba(1)-Pt(1) bond length is 2.12 Å. All Ba(1)-Bi(1) bond lengths are 2.99 Å. Ti(1) is bonded in a 4-coordinate geometry to one Ba(1) and three equivalent Pt(1) atoms. All Ti(1)-Pt(1) bond lengths are 2.99 Å. Pt(1) is bonded to one Ba(1), three equivalent Ti(1), and one Bi(1) atom to form distorted PtBaTi3Bi trigonal bipyramids that share corners with six equivalent Pt(1)BaTi3Bi trigonal bipyramids and corners with three equivalent Bi(1)Ba3Pt trigonal pyramids. The Pt(1)-Bi(1) bond length is 2.12 Å. Bi(1) is bonded to three equivalent Ba(1) and one Pt(1) atom to form distorted BiBa3Pt trigonal pyramids that share corners with three equivalent Pt(1)BaTi3Bi trigonal bipyramids and corners with six equivalent Bi(1)Ba3Pt trigonal pyramids.