data_Co13Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co13Mo
_chemical_formula_sum   'Co26 Mo2'
_cell_volume   338.18
_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  Co0  1  0.19  0.5  0.53  1.0
  Co  Co1  1  0.87  0.5  0.53  1.0
  Co  Co2  1  0.19  0.56  0.53  1.0
  Co  Co3  1  0.87  0.56  0.53  1.0
  Co  Co4  1  0.53  0.87  0.56  1.0
  Co  Co5  1  0.53  0.19  0.56  1.0
  Co  Co6  1  0.53  0.87  0.5  1.0
  Co  Co7  1  0.53  0.19  0.5  1.0
  Co  Co8  1  0.56  0.53  0.19  1.0
  Co  Co9  1  0.56  0.53  0.87  1.0
  Co  Co10  1  0.5  0.53  0.19  1.0
  Co  Co11  1  0.5  0.53  0.87  1.0
  Co  Co12  1  0.53  0.09  0.19  1.0
  Co  Co13  1  0.53  0.09  0.87  1.0
  Co  Co14  1  0.53  0.97  0.19  1.0
  Co  Co15  1  0.53  0.97  0.87  1.0
  Co  Co16  1  0.09  0.19  0.53  1.0
  Co  Co17  1  0.09  0.87  0.53  1.0
  Co  Co18  1  0.97  0.19  0.53  1.0
  Co  Co19  1  0.97  0.87  0.53  1.0
  Co  Co20  1  0.19  0.53  0.09  1.0
  Co  Co21  1  0.87  0.53  0.09  1.0
  Co  Co22  1  0.19  0.53  0.97  1.0
  Co  Co23  1  0.87  0.53  0.97  1.0
  Co  Co24  1  0.53  0.53  0.53  1.0
  Co  Co25  1  0.0  0.0  0.0  1.0
  Mo  Mo26  1  0.29  0.29  0.29  1.0
  Mo  Mo27  1  0.76  0.76  0.76  1.0

data_Co13Mo
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   19.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Co13Mo
_chemical_formula_sum   'Co78 Mo6'
_cell_volume   1014.55
_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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.03  0.41  0.44  1.0
  Co  Co1  9  0.07  0.49  0.4  1.0
  Co  Co2  9  0.08  0.71  0.84  1.0
  Co  Co3  9  0.1  0.53  0.03  1.0
  Co  Co4  9  0.1  0.88  0.35  1.0
  Co  Co5  9  0.15  0.75  0.87  1.0
  Co  Co6  9  0.2  0.77  0.24  1.0
  Co  Co7  9  0.21  0.45  0.26  1.0
  Co  Co8  3  0.0  0.0  0.0  1.0
  Co  Co9  3  0.0  0.0  0.47  1.0
  Mo  Mo10  3  0.0  0.0  0.24  1.0
  Mo  Mo11  3  0.0  0.0  0.71  1.0

Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Mo Mo
Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Co Mo Mo 0 2 o o o 0 24 o o o 0 25 o o + 1 3 o o o 1 24 o o o 1 25 + + o 1 25 + o + 2 24 o o o 2 25 o + o 3 24 o o o 3 25 + + o 3 25 + o + 4 6 o o o 4 24 o o o 4 25 + + o 4 25 o + + 5 7 o o o 5 24 o o o 5 25 o o + 6 24 o o o 6 25 + + o 6 25 o + + 7 24 o o o 7 25 + o o 8 10 o o o 8 24 o o o 8 25 + o o 9 11 o o o 9 24 o o o 9 25 + o + 9 25 o + + 10 24 o o o 10 25 o + o 11 24 o o o 11 25 + o + 11 25 o + + 12 14 o - o 12 25 + o o 12 26 o o o 13 15 o - o 13 24 o o o 13 25 + o + 13 25 o o + 14 24 o o o 14 25 + + o 15 25 o + + 15 27 o o o 16 18 - o o 16 25 o o + 16 26 o o o 17 19 - o o 17 24 o o o 17 25 o + + 17 25 o + o 18 24 o o o 18 25 + o + 19 25 + + o 19 27 o o o 20 22 o o - 20 25 o + o 20 26 o o o 21 23 o o - 21 24 o o o 21 25 + + o 21 25 + o o 22 24 o o o 22 25 o + + 23 25 + o + 23 27 o o o 