data_Co6HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6HgMo
_chemical_formula_sum   'Co24 Hg4 Mo4'
_cell_volume   398.07
_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
  Co  Co0  1  0.67  0.34  0.92  1.0
  Co  Co1  1  0.78  0.67  0.19  1.0
  Co  Co2  1  0.56  0.33  0.19  1.0
  Co  Co3  1  0.67  0.66  0.92  1.0
  Co  Co4  1  0.56  0.67  0.19  1.0
  Co  Co5  1  0.78  0.33  0.19  1.0
  Co  Co6  1  0.0  0.0  0.22  1.0
  Co  Co7  1  0.57  0.26  0.58  1.0
  Co  Co8  1  0.57  0.74  0.58  1.0
  Co  Co9  1  0.67  0.34  0.51  1.0
  Co  Co10  1  0.77  0.74  0.85  1.0
  Co  Co11  1  0.57  0.26  0.85  1.0
  Co  Co12  1  0.67  0.66  0.51  1.0
  Co  Co13  1  0.57  0.74  0.85  1.0
  Co  Co14  1  0.77  0.26  0.85  1.0
  Co  Co15  1  0.0  0.0  0.0  1.0
  Co  Co16  1  0.56  0.33  0.25  1.0
  Co  Co17  1  0.56  0.67  0.25  1.0
  Co  Co18  1  0.67  0.0  0.22  1.0
  Co  Co19  1  0.77  0.26  0.58  1.0
  Co  Co20  1  0.77  0.74  0.58  1.0
  Co  Co21  1  0.67  0.0  0.0  1.0
  Co  Co22  1  0.78  0.33  0.25  1.0
  Co  Co23  1  0.78  0.67  0.25  1.0
  Hg  Hg24  1  0.67  0.44  0.22  1.0
  Hg  Hg25  1  0.67  0.56  0.22  1.0
  Hg  Hg26  1  0.67  0.0  0.86  1.0
  Hg  Hg27  1  0.67  0.0  0.58  1.0
  Mo  Mo28  1  0.67  0.37  0.0  1.0
  Mo  Mo29  1  0.67  0.63  0.0  1.0
  Mo  Mo30  1  0.0  0.0  0.86  1.0
  Mo  Mo31  1  0.0  0.0  0.57  1.0

data_Co6HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   10.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co6HgMo
_chemical_formula_sum   'Co24 Hg4 Mo4'
_cell_volume   398.07
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.22  1.0
  Co  Co2  1  0.56  0.33  0.19  1.0
  Co  Co3  1  0.56  0.33  0.25  1.0
  Co  Co4  1  0.56  0.67  0.19  1.0
  Co  Co5  1  0.56  0.67  0.25  1.0
  Co  Co6  1  0.57  0.26  0.58  1.0
  Co  Co7  1  0.57  0.26  0.85  1.0
  Co  Co8  1  0.57  0.74  0.58  1.0
  Co  Co9  1  0.57  0.74  0.85  1.0
  Co  Co10  1  0.67  0.0  0.0  1.0
  Co  Co11  1  0.67  0.0  0.22  1.0
  Co  Co12  1  0.67  0.34  0.51  1.0
  Co  Co13  1  0.67  0.34  0.92  1.0
  Co  Co14  1  0.67  0.66  0.51  1.0
  Co  Co15  1  0.67  0.66  0.92  1.0
  Co  Co16  1  0.77  0.26  0.58  1.0
  Co  Co17  1  0.77  0.26  0.85  1.0
  Co  Co18  1  0.77  0.74  0.58  1.0
  Co  Co19  1  0.77  0.74  0.85  1.0
  Co  Co20  1  0.78  0.33  0.19  1.0
  Co  Co21  1  0.78  0.33  0.25  1.0
  Co  Co22  1  0.78  0.67  0.19  1.0
  Co  Co23  1  0.78  0.67  0.25  1.0
  Hg  Hg24  1  0.67  0.0  0.58  1.0
  Hg  Hg25  1  0.67  0.0  0.86  1.0
  Hg  Hg26  1  0.67  0.44  0.22  1.0
  Hg  Hg27  1  0.67  0.56  0.22  1.0
  Mo  Mo28  1  0.0  0.0  0.57  1.0
  Mo  Mo29  1  0.0  0.0  0.86  1.0
  Mo  Mo30  1  0.67  0.37  0.0  1.0
  Mo  Mo31  1  0.67  0.63  0.0  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 Hg Hg Hg Hg Mo Mo 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 Hg Hg Hg Hg Mo Mo Mo Mo 0 11 o o o 0 28 o o + 0 14 o o o 1 23 o o o 1 6 + + o 1 18 o + o 1 25 o o o 2 16 o o o 2 18 o o o 2 24 o o o 3 29 o o + 3 10 o o o 3 13 o o o 4 17 o o o 4 18 o + o 5 22 o o o 5 18 o o o 6 23 - - o 6 18 - o o 6 15 o o o 7 9 o o o 7 19 o o o 8 12 o o o 8 20 o o o 8 27 o + o 9 19 o o o 10 13 o o o 11 14 o o o 12 20 o o o 13 26 o + o 14 26 o o o 15 30 o o - 16 18 o o o 16 24 o o o 17 18 o + o 18 23 o - o 18 21 o o o 18 22 o o o 19 27 o o o 20 31 + + o 21 26 o o - 23 25 o o o 24 25 o o o 27 31 + o o 