data_MnNi4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi4Sb
_chemical_formula_sum   'Mn1 Ni4 Sb1'
_cell_volume   78.12
_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  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.25  0.25  0.54  1.0
  Ni  Ni2  1  0.25  0.54  0.25  1.0
  Ni  Ni3  1  0.54  0.25  0.25  1.0
  Ni  Ni4  1  0.54  0.54  0.54  1.0
  Sb  Sb5  1  0.09  0.09  0.09  1.0

data_MnNi4Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnNi4Sb
_chemical_formula_sum   'Mn3 Ni12 Sb3'
_cell_volume   234.36
_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
  Ni  Ni1  9  0.1  0.2  0.66  1.0
  Ni  Ni2  3  0.0  0.0  0.46  1.0
  Sb  Sb3  3  0.0  0.0  0.91  1.0

Mn Ni Ni Ni Ni Sb
MnNi4Sb crystallizes in the trigonal R3m space group. Mn(1) is bonded in a single-bond geometry to three equivalent Ni(1), three equivalent Ni(2), and one Sb(1) atom. All Mn(1)-Ni(1) bond lengths are 1.96 Å. All Mn(1)-Ni(2) bond lengths are 3.14 Å. The Mn(1)-Sb(1) bond length is 1.05 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Mn(1), two equivalent Ni(1), and three equivalent Ni(2) atoms. Both Ni(1)-Ni(1) bond lengths are 1.41 Å. There is one shorter (2.45 Å) and two longer (2.94 Å) Ni(1)-Ni(2) bond lengths. In the second Ni site, Ni(2) is bonded in a 15-coordinate geometry to three equivalent Mn(1), nine equivalent Ni(1), and three equivalent Sb(1) atoms. All Ni(2)-Sb(1) bond lengths are 3.10 Å. Sb(1) is bonded in a single-bond geometry to one Mn(1) and three equivalent Ni(2) atoms.