data_MnSiBi2
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiBi2
_chemical_formula_sum   'Mn1 Si1 Bi2'
_cell_volume   98.24
_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
  Mn  Mn2  1  0.49  0.49  0.49  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.83  0.83  0.83  1.0
  Bi  Bi1  1  0.66  0.66  0.66  1.0

data_MnSiBi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnSiBi2
_chemical_formula_sum   'Mn3 Si3 Bi6'
_cell_volume   294.73
_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
  Mn  Mn0  3  0.0  0.0  0.51  1.0
  Si  Si1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.17  1.0
  Bi  Bi3  3  0.0  0.0  0.34  1.0

Mn Si Bi Bi
MnSiBi2 crystallizes in the trigonal R3m space group. Mn(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form distorted MnBi4 trigonal pyramids that share  a cornercorner with one Bi(1)Mn3SiBi trigonal bipyramid, corners with six equivalent Mn(1)Bi4 trigonal pyramids, and edges with three equivalent Si(1)Bi4 trigonal pyramids. The Mn(1)-Bi(2) bond length is 2.14 Å. All Mn(1)-Bi(1) bond lengths are 2.99 Å. Si(1) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form SiBi4 trigonal pyramids that share corners with three equivalent Bi(1)Mn3SiBi trigonal bipyramids, corners with six equivalent Si(1)Bi4 trigonal pyramids, and edges with three equivalent Mn(1)Bi4 trigonal pyramids. The Si(1)-Bi(1) bond length is 2.14 Å. All Si(1)-Bi(2) bond lengths are 2.99 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to three equivalent Mn(1), one Si(1), and one Bi(2) atom to form BiMn3SiBi trigonal bipyramids that share corners with six equivalent Bi(1)Mn3SiBi trigonal bipyramids,  a cornercorner with one Mn(1)Bi4 trigonal pyramid, and corners with three equivalent Si(1)Bi4 trigonal pyramids. The Bi(1)-Bi(2) bond length is 2.14 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one Mn(1), three equivalent Si(1), and one Bi(1) atom.