data_InCoMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCoMo
_chemical_formula_sum   'In1 Co1 Mo1'
_cell_volume   63.84
_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  In1  1  0.17  0.17  0.17  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.59  0.59  0.59  1.0

data_InCoMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InCoMo
_chemical_formula_sum   'In3 Co3 Mo3'
_cell_volume   191.53
_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  0.83  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Mo  Mo2  3  0.0  0.0  0.41  1.0

In Co Mo
MoCoIn crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent In(1) atoms. All Mo(1)-Co(1) bond lengths are 2.74 Å. All Mo(1)-In(1) bond lengths are 2.74 Å. Co(1) is bonded to three equivalent Mo(1) and one In(1) atom to form distorted CoInMo3 tetrahedra that share corners with three equivalent In(1)CoMo3 tetrahedra, corners with six equivalent Co(1)InMo3 tetrahedra, and edges with three equivalent In(1)CoMo3 tetrahedra. The Co(1)-In(1) bond length is 1.89 Å. In(1) is bonded to three equivalent Mo(1) and one Co(1) atom to form distorted InCoMo3 tetrahedra that share corners with three equivalent Co(1)InMo3 tetrahedra, corners with six equivalent In(1)CoMo3 tetrahedra, and edges with three equivalent Co(1)InMo3 tetrahedra.