data_MnAgSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAgSnBi
_chemical_formula_sum   'Mn1 Ag1 Sn1 Bi1'
_cell_volume   90.8
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.57  0.57  0.57  1.0
  Sn  Sn3  1  0.35  0.35  0.35  1.0
  Bi  Bi1  1  0.78  0.78  0.78  1.0

data_MnAgSnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnAgSnBi
_chemical_formula_sum   'Mn3 Ag3 Sn3 Bi3'
_cell_volume   272.39
_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  0.0  1.0
  Ag  Ag1  3  0.0  0.0  0.43  1.0
  Sn  Sn2  3  0.0  0.0  0.65  1.0
  Bi  Bi3  3  0.0  0.0  0.22  1.0

Mn Ag Sn Bi
Mn Ag Sn Bi 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
MnAgSnBi crystallizes in the trigonal R3m space group. Mn(1) is bonded in a 10-coordinate geometry to three equivalent Ag(1), three equivalent Sn(1), and four equivalent Bi(1) atoms. All Mn(1)-Ag(1) bond lengths are 3.16 Å. All Mn(1)-Sn(1) bond lengths are 2.92 Å. There is one shorter (2.67 Å) and three longer (3.25 Å) Mn(1)-Bi(1) bond lengths. Ag(1) is bonded in a 11-coordinate geometry to three equivalent Mn(1), four equivalent Sn(1), and four equivalent Bi(1) atoms. There is one shorter (2.67 Å) and three longer (3.25 Å) Ag(1)-Sn(1) bond lengths. There is one shorter (2.67 Å) and three longer (3.25 Å) Ag(1)-Bi(1) bond lengths. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), four equivalent Ag(1), and three equivalent Bi(1) atoms. All Sn(1)-Bi(1) bond lengths are 3.16 Å. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Mn(1), four equivalent Ag(1), and three equivalent Sn(1) atoms.