data_MnCo6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo6Mo
_chemical_formula_sum   'Mn4 Co24 Mo4'
_cell_volume   360.48
_cell_formula_units_Z   4
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
  Mn  Mn24  1  0.56  0.48  0.0  1.0
  Mn  Mn25  1  0.56  0.52  0.0  1.0
  Mn  Mn26  1  0.0  0.0  0.49  1.0
  Mn  Mn27  1  0.0  0.0  0.57  1.0
  Co  Co0  1  0.56  0.54  0.49  1.0
  Co  Co1  1  0.35  0.75  0.76  1.0
  Co  Co2  1  0.76  0.25  0.76  1.0
  Co  Co3  1  0.56  0.46  0.49  1.0
  Co  Co4  1  0.76  0.75  0.76  1.0
  Co  Co5  1  0.35  0.25  0.76  1.0
  Co  Co6  1  0.56  0.0  0.0  1.0
  Co  Co7  1  0.76  0.27  0.24  1.0
  Co  Co8  1  0.76  0.73  0.24  1.0
  Co  Co9  1  0.56  0.54  0.58  1.0
  Co  Co10  1  0.35  0.73  0.82  1.0
  Co  Co11  1  0.76  0.27  0.82  1.0
  Co  Co12  1  0.56  0.46  0.58  1.0
  Co  Co13  1  0.76  0.73  0.82  1.0
  Co  Co14  1  0.35  0.27  0.82  1.0
  Co  Co15  1  0.56  0.0  0.03  1.0
  Co  Co16  1  0.76  0.25  0.3  1.0
  Co  Co17  1  0.76  0.75  0.3  1.0
  Co  Co18  1  0.0  0.0  0.0  1.0
  Co  Co19  1  0.35  0.27  0.24  1.0
  Co  Co20  1  0.35  0.73  0.24  1.0
  Co  Co21  1  0.0  0.0  0.03  1.0
  Co  Co22  1  0.35  0.25  0.3  1.0
  Co  Co23  1  0.35  0.75  0.3  1.0
  Mo  Mo28  1  0.56  0.49  0.03  1.0
  Mo  Mo29  1  0.56  0.51  0.03  1.0
  Mo  Mo30  1  0.56  0.0  0.5  1.0
  Mo  Mo31  1  0.56  0.0  0.56  1.0

data_MnCo6Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo6Mo
_chemical_formula_sum   'Mn4 Co24 Mo4'
_cell_volume   360.48
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.0  0.0  0.49  1.0
  Mn  Mn1  1  0.0  0.0  0.57  1.0
  Mn  Mn2  1  0.56  0.48  0.0  1.0
  Mn  Mn3  1  0.56  0.52  0.0  1.0
  Co  Co4  1  0.0  0.0  0.0  1.0
  Co  Co5  1  0.0  0.0  0.03  1.0
  Co  Co6  1  0.35  0.25  0.3  1.0
  Co  Co7  1  0.35  0.25  0.76  1.0
  Co  Co8  1  0.35  0.75  0.3  1.0
  Co  Co9  1  0.35  0.75  0.76  1.0
  Co  Co10  1  0.35  0.27  0.24  1.0
  Co  Co11  1  0.35  0.27  0.82  1.0
  Co  Co12  1  0.35  0.73  0.24  1.0
  Co  Co13  1  0.35  0.73  0.82  1.0
  Co  Co14  1  0.56  0.0  0.0  1.0
  Co  Co15  1  0.56  0.0  0.03  1.0
  Co  Co16  1  0.56  0.46  0.49  1.0
  Co  Co17  1  0.56  0.46  0.58  1.0
  Co  Co18  1  0.56  0.54  0.49  1.0
  Co  Co19  1  0.56  0.54  0.58  1.0
  Co  Co20  1  0.76  0.27  0.24  1.0
  Co  Co21  1  0.76  0.27  0.82  1.0
  Co  Co22  1  0.76  0.73  0.24  1.0
  Co  Co23  1  0.76  0.73  0.82  1.0
  Co  Co24  1  0.76  0.25  0.3  1.0
  Co  Co25  1  0.76  0.25  0.76  1.0
  Co  Co26  1  0.76  0.75  0.3  1.0
  Co  Co27  1  0.76  0.75  0.76  1.0
  Mo  Mo28  1  0.56  0.0  0.5  1.0
  Mo  Mo29  1  0.56  0.0  0.56  1.0
  Mo  Mo30  1  0.56  0.49  0.03  1.0
  Mo  Mo31  1  0.56  0.51  0.03  1.0

Mn Mn Mn Mn 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 Mo Mo
Mn Mn Mn Mn 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 Mo Mo 0 28 o o o 0 1 o o o 1 29 o o o 2 3 o o o 4 7 o o o 5 14 o o o 6 15 o o o 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 12 21 o o o 13 16 o o o 22 25 o o o 23 26 o o o 24 27 o o o 28 29 o o o 30 31 o o o 