data_InNi4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi4Mo
_chemical_formula_sum   'In1 Ni4 Mo1'
_cell_volume   77.8
_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
  In  In0  1  0.08  0.08  0.08  1.0
  Ni  Ni2  1  0.24  0.24  0.54  1.0
  Ni  Ni3  1  0.24  0.54  0.24  1.0
  Ni  Ni4  1  0.54  0.24  0.24  1.0
  Ni  Ni5  1  0.54  0.54  0.54  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_InNi4Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InNi4Mo
_chemical_formula_sum   'In3 Ni12 Mo3'
_cell_volume   233.4
_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
  In  In0  3  0.0  0.0  0.92  1.0
  Ni  Ni1  9  0.1  0.2  0.66  1.0
  Ni  Ni2  3  0.0  0.0  0.46  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

In Ni Ni Ni Ni Mo
In Ni Ni Ni Ni Mo 0 5 o o o 0 4 o o - 0 4 o - o 0 4 - o o 1 3 o o o 1 2 o o o 1 4 o o o 1 4 o - o 1 4 - o o 2 3 o o o 2 4 o o o 2 4 o o - 2 4 - o o 3 4 o o o 3 4 o o - 3 4 o - o 4 5 o + + 4 5 + o + 4 5 + + o 
MoNi4In crystallizes in the trigonal R3m space group. Mo(1) is bonded in a single-bond geometry to three equivalent Ni(1), three equivalent Ni(2), and one In(1) atom. All Mo(1)-Ni(1) bond lengths are 1.95 Å. All Mo(1)-Ni(2) bond lengths are 3.16 Å. The Mo(1)-In(1) bond length is 0.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Mo(1), two equivalent Ni(1), and three equivalent Ni(2) atoms. Both Ni(1)-Ni(1) bond lengths are 1.42 Å. There is one shorter (2.46 Å) and two longer (2.93 Å) Ni(1)-Ni(2) bond lengths. In the second Ni site, Ni(2) is bonded in a 15-coordinate geometry to three equivalent Mo(1), nine equivalent Ni(1), and three equivalent In(1) atoms. All Ni(2)-In(1) bond lengths are 3.11 Å. In(1) is bonded in a single-bond geometry to one Mo(1) and three equivalent Ni(2) atoms.