data_MnReSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnReSb3
_chemical_formula_sum   'Mn1 Re1 Sb3'
_cell_volume   116.76
_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  Mn1  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.44  0.44  0.44  1.0
  Sb  Sb2  1  0.0  0.44  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.44  1.0
  Sb  Sb4  1  0.44  0.0  0.0  1.0

data_MnReSb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnReSb3
_chemical_formula_sum   'Mn3 Re3 Sb9'
_cell_volume   350.28
_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
  Re  Re1  3  0.0  0.0  0.44  1.0
  Sb  Sb2  9  0.19  0.37  0.81  1.0

Mn Re Sb Sb Sb
Mn Re Sb Sb Sb 0 4 o o o 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 + o + 1 4 o o o 1 4 o o + 1 4 o + o 1 4 o + + 
ReMnSb3 crystallizes in the trigonal R3m space group. Re(1) is bonded in a distorted q6 geometry to nine equivalent Sb(1) atoms. There are three shorter (3.07 Å) and six longer (3.48 Å) Re(1)-Sb(1) bond lengths. Mn(1) is bonded to six equivalent Sb(1) atoms to form corner-sharing MnSb6 octahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.17 Å) and three longer (2.72 Å) Mn(1)-Sb(1) bond lengths. Sb(1) is bonded in a 2-coordinate geometry to three equivalent Re(1) and two equivalent Mn(1) atoms.