data_Co3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   9.19
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co18 Cl6'
_cell_volume   374.24
_cell_formula_units_Z   6
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  Co6  1  0.28  0.8  0.09  1.0
  Co  Co7  1  0.28  0.39  0.09  1.0
  Co  Co8  1  0.35  0.0  0.54  1.0
  Co  Co9  1  0.16  0.6  0.58  1.0
  Co  Co10  1  0.23  0.39  0.03  1.0
  Co  Co11  1  0.23  0.8  0.03  1.0
  Co  Co12  1  0.0  0.6  0.3  1.0
  Co  Co13  1  0.0  0.07  0.95  1.0
  Co  Co14  1  0.0  0.12  0.95  1.0
  Co  Co15  1  0.74  0.8  0.09  1.0
  Co  Co16  1  0.74  0.39  0.09  1.0
  Co  Co17  1  0.67  0.0  0.54  1.0
  Co  Co18  1  0.85  0.6  0.58  1.0
  Co  Co19  1  0.78  0.39  0.03  1.0
  Co  Co20  1  0.78  0.8  0.03  1.0
  Co  Co21  1  0.51  0.0  0.82  1.0
  Co  Co22  1  0.51  0.47  0.17  1.0
  Co  Co23  1  0.51  0.72  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.6  1.0
  Cl  Cl1  1  0.0  0.06  0.49  1.0
  Cl  Cl2  1  0.0  0.13  0.49  1.0
  Cl  Cl3  1  0.51  0.6  0.52  1.0
  Cl  Cl4  1  0.51  0.66  0.62  1.0
  Cl  Cl5  1  0.51  0.53  0.62  1.0

data_Co3Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   8.12
_cell_length_b   5.02
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Co3Cl
_chemical_formula_sum   'Co18 Cl6'
_cell_volume   374.24
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.42  0.16  0.4  1.0
  Co  Co1  2  0.46  0.35  0.0  1.0
  Co  Co2  2  0.91  0.28  0.2  1.0
  Co  Co3  2  0.91  0.28  0.61  1.0
  Co  Co4  2  0.97  0.23  0.2  1.0
  Co  Co5  2  0.97  0.23  0.61  1.0
  Co  Co6  1  0.05  0.0  0.88  1.0
  Co  Co7  1  0.05  0.0  0.93  1.0
  Co  Co8  1  0.18  0.5  0.0  1.0
  Co  Co9  1  0.7  0.0  0.4  1.0
  Co  Co10  1  0.83  0.5  0.28  1.0
  Co  Co11  1  0.83  0.5  0.53  1.0
  Cl  Cl12  1  0.38  0.5  0.34  1.0
  Cl  Cl13  1  0.38  0.5  0.47  1.0
  Cl  Cl14  1  0.4  0.0  0.0  1.0
  Cl  Cl15  1  0.48  0.5  0.4  1.0
  Cl  Cl16  1  0.51  0.0  0.87  1.0
  Cl  Cl17  1  0.51  0.0  0.94  1.0

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