data_BaMnPtPb
_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   BaMnPtPb
_chemical_formula_sum   'Ba1 Mn1 Pt1 Pb1'
_cell_volume   99.09
_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  0.84  0.84  0.84  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.51  0.51  0.51  1.0
  Pb  Pb2  1  0.67  0.67  0.67  1.0

data_BaMnPtPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMnPtPb
_chemical_formula_sum   'Ba3 Mn3 Pt3 Pb3'
_cell_volume   297.27
_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  0.16  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  3  0.0  0.0  0.49  1.0
  Pb  Pb3  3  0.0  0.0  0.33  1.0

Ba Mn Pt Pb
Ba Mn Pt Pb 0 3 o o o 0 1 + + + 2 3 o o o 
BaMnPtPb crystallizes in the trigonal R3m space group. Ba(1) is bonded to one Mn(1), three equivalent Pt(1), and one Pb(1) atom to form distorted BaMnPt3Pb trigonal bipyramids that share corners with six equivalent Ba(1)MnPt3Pb trigonal bipyramids,  a cornercorner with one Pt(1)Ba3Pb trigonal pyramid, and corners with three equivalent Mn(1)BaPb3 trigonal pyramids. The Ba(1)-Mn(1) bond length is 2.08 Å. All Ba(1)-Pt(1) bond lengths are 3.00 Å. The Ba(1)-Pb(1) bond length is 2.08 Å. Mn(1) is bonded to one Ba(1) and three equivalent Pb(1) atoms to form distorted MnBaPb3 trigonal pyramids that share corners with three equivalent Ba(1)MnPt3Pb trigonal bipyramids, corners with six equivalent Mn(1)BaPb3 trigonal pyramids, and edges with three equivalent Pt(1)Ba3Pb trigonal pyramids. All Mn(1)-Pb(1) bond lengths are 3.00 Å. Pt(1) is bonded to three equivalent Ba(1) and one Pb(1) atom to form PtBa3Pb trigonal pyramids that share  a cornercorner with one Ba(1)MnPt3Pb trigonal bipyramid, corners with six equivalent Pt(1)Ba3Pb trigonal pyramids, and edges with three equivalent Mn(1)BaPb3 trigonal pyramids. The Pt(1)-Pb(1) bond length is 2.08 Å. Pb(1) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Mn(1), and one Pt(1) atom.