data_InB4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InB4Mo
_chemical_formula_sum   'In1 B4 Mo1'
_cell_volume   59.6
_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  In4  1  0.65  0.65  0.65  1.0
  B  B0  1  1.0  1.0  0.2  1.0
  B  B1  1  1.0  0.2  1.0  1.0
  B  B2  1  0.2  1.0  1.0  1.0
  B  B3  1  0.2  0.2  0.2  1.0
  Mo  Mo5  1  0.0  0.0  0.0  1.0

data_InB4Mo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   10.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InB4Mo
_chemical_formula_sum   'In3 B12 Mo3'
_cell_volume   178.8
_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  0.35  1.0
  B  B1  9  0.07  0.93  0.93  1.0
  B  B2  3  0.0  0.0  0.8  1.0
  Mo  Mo3  3  0.0  0.0  0.0  1.0

In B B B B Mo
MoInB4 crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 3-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. All Mo(1)-B(1) bond lengths are 0.88 Å. All Mo(1)-B(2) bond lengths are 2.90 Å. In(1) is bonded in a 3-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. All In(1)-B(1) bond lengths are 2.21 Å. All In(1)-B(2) bond lengths are 2.82 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to one Mo(1), one In(1), and one B(2) atom. The B(1)-B(2) bond length is 1.53 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent In(1), and three equivalent B(1) atoms.