data_MnInHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInHg
_chemical_formula_sum   'Mn1 In1 Hg1'
_cell_volume   70.31
_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
  In  In1  1  0.28  0.28  0.28  1.0
  Hg  Hg0  1  0.64  0.64  0.64  1.0

data_MnInHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnInHg
_chemical_formula_sum   'Mn3 In3 Hg3'
_cell_volume   210.92
_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
  In  In1  3  0.0  0.0  0.72  1.0
  Hg  Hg2  3  0.0  0.0  0.36  1.0

Mn In Hg
Mn In Hg 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 0 1 o o o 1 2 - o o 1 2 o - o 1 2 o o - 
MnHgIn crystallizes in the trigonal R3m space group. Mn(1) is bonded to three equivalent Hg(1) and four equivalent In(1) atoms to form MnIn4Hg3 hexagonal pyramids that share corners with three equivalent In(1)Mn4Hg3 hexagonal pyramids, corners with six equivalent Mn(1)In4Hg3 hexagonal pyramids, edges with three equivalent In(1)Mn4Hg3 hexagonal pyramids, and edges with six equivalent Mn(1)In4Hg3 hexagonal pyramids. All Mn(1)-Hg(1) bond lengths are 2.69 Å. There are three shorter (2.75 Å) and one longer (3.13 Å) Mn(1)-In(1) bond length. Hg(1) is bonded in a hexagonal planar geometry to three equivalent Mn(1) and three equivalent In(1) atoms. All Hg(1)-In(1) bond lengths are 2.69 Å. In(1) is bonded to four equivalent Mn(1) and three equivalent Hg(1) atoms to form InMn4Hg3 hexagonal pyramids that share corners with three equivalent Mn(1)In4Hg3 hexagonal pyramids, corners with six equivalent In(1)Mn4Hg3 hexagonal pyramids, edges with three equivalent Mn(1)In4Hg3 hexagonal pyramids, and edges with six equivalent In(1)Mn4Hg3 hexagonal pyramids.