data_Co6Mo6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   7.69
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6Mo6C
_chemical_formula_sum   'Co12 Mo12 C2'
_cell_volume   321.33
_cell_formula_units_Z   2
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
  Co  Co2  1  0.08  0.08  0.8  1.0
  Co  Co3  1  0.55  0.55  0.55  1.0
  Co  Co4  1  0.55  0.33  0.33  1.0
  Co  Co5  1  0.33  0.55  0.33  1.0
  Co  Co6  1  0.26  0.26  0.05  1.0
  Co  Co7  1  0.08  0.8  0.08  1.0
  Co  Co8  1  0.8  0.08  0.08  1.0
  Co  Co9  1  0.8  0.8  0.8  1.0
  Co  Co10  1  0.33  0.33  0.55  1.0
  Co  Co11  1  0.05  0.05  0.05  1.0
  Co  Co12  1  0.26  0.05  0.26  1.0
  Co  Co13  1  0.05  0.26  0.26  1.0
  Mo  Mo14  1  0.72  0.72  0.88  1.0
  Mo  Mo15  1  0.56  0.72  0.72  1.0
  Mo  Mo16  1  0.72  0.56  0.72  1.0
  Mo  Mo17  1  0.16  0.44  0.44  1.0
  Mo  Mo18  1  0.44  0.16  0.44  1.0
  Mo  Mo19  1  0.44  0.44  0.72  1.0
  Mo  Mo20  1  0.72  0.88  0.72  1.0
  Mo  Mo21  1  0.88  0.72  0.72  1.0
  Mo  Mo22  1  0.72  0.72  0.56  1.0
  Mo  Mo23  1  0.44  0.72  0.44  1.0
  Mo  Mo24  1  0.72  0.44  0.44  1.0
  Mo  Mo25  1  0.44  0.44  0.16  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.72  0.72  0.72  1.0

data_Co6Mo6C
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.69
_cell_length_b   7.69
_cell_length_c   18.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co6Mo6C
_chemical_formula_sum   'Co36 Mo36 C6'
_cell_volume   963.99
_cell_formula_units_Z   6
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
  Co  Co0  9  0.07  0.15  0.6  1.0
  Co  Co1  9  0.15  0.07  0.81  1.0
  Co  Co2  9  0.19  0.09  0.02  1.0
  Co  Co3  3  0.0  0.0  0.2  1.0
  Co  Co4  3  0.0  0.0  0.45  1.0
  Co  Co5  3  0.0  0.0  0.95  1.0
  Mo  Mo6  9  0.05  0.1  0.23  1.0
  Mo  Mo7  9  0.09  0.19  0.47  1.0
  Mo  Mo8  9  0.1  0.05  0.33  1.0
  Mo  Mo9  9  0.19  0.09  0.66  1.0
  C  C10  3  0.0  0.0  0.0  1.0
  C  C11  3  0.0  0.0  0.28  1.0

Co Co Co Co Co Co Co Co Co Co Co Co Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo C C
Co Co Co Co Co Co Co Co Co Co Co Co Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo C C 0 24 o o + 1 17 o o o 1 21 o o o 1 22 o o o 2 16 o o o 2 23 o o o 2 8 o o o 2 3 o o o 3 15 o o o 3 8 o o o 3 23 o o o 4 10 o o o 4 11 o o o 5 24 o + o 6 24 + o o 7 12 o o o 7 18 o o o 7 19 o o o 8 15 o o o 8 16 o o o 9 24 o o o 10 11 o o o 12 25 o o o 13 14 o o o 13 20 o o o 13 25 o o o 14 20 o o o 14 25 o o o 18 25 o o o 19 25 o o o 20 25 o o o 