data_NiSn(ClO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   102.17
_cell_angle_beta   102.17
_cell_angle_gamma   102.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn(ClO)6
_chemical_formula_sum   'Ni1 Sn1 Cl6 O6'
_cell_volume   285.08
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.46  1.0
  Cl  Cl2  1  0.99  0.67  0.89  1.0
  Cl  Cl3  1  0.29  0.89  0.89  1.0
  Cl  Cl4  1  0.72  0.44  0.89  1.0
  Cl  Cl5  1  0.01  0.33  0.03  1.0
  Cl  Cl6  1  0.71  0.11  0.03  1.0
  Cl  Cl7  1  0.28  0.56  0.03  1.0
  O  O8  1  0.31  0.91  0.12  1.0
  O  O9  1  0.32  0.35  0.12  1.0
  O  O10  1  0.37  0.74  0.12  1.0
  O  O11  1  0.69  0.09  0.79  1.0
  O  O12  1  0.68  0.65  0.79  1.0
  O  O13  1  0.63  0.26  0.79  1.0

data_NiSn(ClO)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   102.17
_cell_angle_beta   102.17
_cell_angle_gamma   102.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSn(ClO)6
_chemical_formula_sum   'Ni1 Sn1 Cl6 O6'
_cell_volume   285.08
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.46  1.0
  Cl  Cl2  1  0.01  0.33  0.03  1.0
  Cl  Cl3  1  0.28  0.56  0.03  1.0
  Cl  Cl4  1  0.29  0.89  0.89  1.0
  Cl  Cl5  1  0.71  0.11  0.03  1.0
  Cl  Cl6  1  0.72  0.44  0.89  1.0
  Cl  Cl7  1  0.99  0.67  0.89  1.0
  O  O8  1  0.31  0.91  0.12  1.0
  O  O9  1  0.32  0.35  0.12  1.0
  O  O10  1  0.37  0.74  0.12  1.0
  O  O11  1  0.63  0.26  0.79  1.0
  O  O12  1  0.68  0.65  0.79  1.0
  O  O13  1  0.69  0.09  0.79  1.0

Ni Sn Cl Cl Cl Cl Cl Cl O O O O O O
Ni Sn Cl Cl Cl Cl Cl Cl O O O O O O 0 5 o o o 0 11 - o - 0 6 - o o 0 3 o - - 0 2 - - - 0 8 o - o 0 9 o o o 0 1 o o o 0 1 o o - 1 10 - - o 1 10 o - o 1 12 - - o 1 5 o o o 1 5 o o + 1 6 - o o 1 13 - o o 1 13 o o o 1 11 - o o 1 8 o - o 1 2 - - - 1 2 - - o 1 3 o - o 1 9 o o o 2 12 o o o 2 4 o o o 2 7 + o + 2 3 + o o 2 10 + o + 2 8 + o + 3 8 o o + 4 13 o o o 4 5 + o + 4 12 o o o 5 13 - o - 5 11 - o - 5 6 - o o 5 7 o o o 5 9 o o o 6 11 o o - 7 10 o o o 7 9 o o o 8 10 o o o 11 13 o o o 