data_Zn3Fe2(CN)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.05
_cell_length_b   13.05
_cell_length_c   13.05
_cell_angle_alpha   58.32
_cell_angle_beta   58.32
_cell_angle_gamma   58.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Fe2(CN)12
_chemical_formula_sum   'Zn6 Fe4 C24 N24'
_cell_volume   1511.09
_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
  Zn  Zn0  1  0.52  0.52  0.49  1.0
  Zn  Zn1  1  0.68  0.67  0.88  1.0
  Zn  Zn2  1  0.16  0.16  0.49  1.0
  Zn  Zn3  1  0.32  0.33  0.49  1.0
  Zn  Zn4  1  0.84  0.84  0.88  1.0
  Zn  Zn5  1  0.48  0.48  0.88  1.0
  Fe  Fe6  1  0.0  0.0  0.46  1.0
  Fe  Fe7  1  0.0  0.0  0.9  1.0
  Fe  Fe8  1  0.0  0.0  0.72  1.0
  Fe  Fe9  1  0.0  0.0  0.64  1.0
  C  C10  1  0.46  0.16  0.35  1.0
  C  C11  1  0.4  0.18  0.89  1.0
  C  C12  1  0.09  0.26  0.53  1.0
  C  C13  1  0.91  0.26  0.35  1.0
  C  C14  1  0.76  0.15  0.87  1.0
  C  C15  1  0.54  0.16  0.53  1.0
  C  C16  1  0.37  0.42  0.01  1.0
  C  C17  1  0.35  0.48  0.47  1.0
  C  C18  1  0.6  0.82  0.47  1.0
  C  C19  1  0.63  0.58  0.35  1.0
  C  C20  1  0.65  0.52  0.89  1.0
  C  C21  1  0.09  0.74  0.01  1.0
  C  C22  1  0.71  0.2  0.5  1.0
  C  C23  1  0.46  0.84  0.83  1.0
  C  C24  1  0.24  0.85  0.5  1.0
  C  C25  1  0.95  0.3  0.89  1.0
  C  C26  1  0.91  0.74  0.83  1.0
  C  C27  1  0.95  0.04  0.87  1.0
  C  C28  1  0.54  0.84  0.01  1.0
  C  C29  1  0.05  0.96  0.5  1.0
  C  C30  1  0.05  0.7  0.47  1.0
  C  C31  1  0.63  0.42  0.83  1.0
  C  C32  1  0.29  0.8  0.87  1.0
  C  C33  1  0.37  0.58  0.53  1.0
  N  N34  1  0.38  0.29  0.32  1.0
  N  N35  1  0.57  1.0  0.75  1.0
  N  N36  1  0.7  0.74  0.43  1.0
  N  N37  1  0.02  0.9  0.35  1.0
  N  N38  1  0.98  0.1  0.01  1.0
  N  N39  1  0.62  0.71  0.04  1.0
  N  N40  1  0.06  0.59  0.32  1.0
  N  N41  1  0.74  0.04  0.43  1.0
  N  N42  1  0.55  0.24  0.62  1.0
  N  N43  1  0.08  0.67  0.35  1.0
  N  N44  1  0.3  0.26  0.93  1.0
  N  N45  1  0.56  0.12  0.32  1.0
  N  N46  1  0.91  0.43  0.35  1.0
  N  N47  1  0.45  0.76  0.75  1.0
  N  N48  1  0.92  0.33  0.01  1.0
  N  N49  1  0.44  0.88  0.04  1.0
  N  N50  1  0.02  0.76  0.62  1.0
  N  N51  1  0.43  0.0  0.62  1.0
  N  N52  1  0.09  0.57  0.01  1.0
  N  N53  1  0.56  0.22  0.43  1.0
  N  N54  1  0.98  0.24  0.75  1.0
  N  N55  1  0.26  0.96  0.93  1.0
  N  N56  1  0.94  0.41  0.04  1.0
  N  N57  1  0.44  0.78  0.93  1.0

data_Zn3Fe2(CN)12
_symmetry_space_group_name_H-M   P-1
_cell_length_a   12.72
_cell_length_b   12.72
_cell_length_c   13.05
_cell_angle_alpha   60.84
_cell_angle_beta   60.84
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zn3Fe2(CN)12
_chemical_formula_sum   'Zn6 Fe4 C24 N24'
_cell_volume   1511.09
_cell_formula_units_Z   2
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
  Zn  Zn0  2  0.16  0.8  0.38  1.0
  Zn  Zn1  2  0.33  0.8  0.05  1.0
  Zn  Zn2  2  0.48  0.2  0.34  1.0
  Fe  Fe3  2  0.0  0.04  0.46  1.0
  Fe  Fe4  2  0.0  0.22  0.28  1.0
  C  C5  2  0.04  0.18  0.32  1.0
  C  C6  2  0.15  0.18  0.41  1.0
  C  C7  2  0.16  0.67  0.21  1.0
  C  C8  2  0.16  0.85  0.95  1.0
  C  C9  2  0.18  0.21  0.72  1.0
  C  C10  2  0.2  0.82  0.78  1.0
  C  C11  2  0.26  0.67  0.66  1.0
  C  C12  2  0.26  0.85  0.3  1.0
  C  C13  2  0.3  0.21  0.04  1.0
  C  C14  2  0.42  0.15  0.3  1.0
  C  C15  2  0.42  0.33  0.39  1.0
  C  C16  2  0.48  0.79  0.88  1.0
  N  N17  2  0.0  0.94  0.13  1.0
  N  N18  2  0.04  0.75  0.97  1.0
  N  N19  2  0.1  0.33  0.09  1.0
  N  N20  2  0.12  0.64  0.17  1.0
  N  N21  2  0.22  0.75  0.97  1.0
  N  N22  2  0.24  0.94  0.77  1.0
  N  N23  2  0.24  0.06  0.21  1.0
  N  N24  2  0.26  0.25  0.69  1.0
  N  N25  2  0.29  0.64  0.19  1.0
  N  N26  2  0.33  0.33  0.91  1.0
  N  N27  2  0.41  0.36  0.79  1.0
  N  N28  2  0.43  0.67  0.49  1.0

Zn Zn Zn Zn Zn Zn Fe Fe Fe Fe C C C C C C C C C C C C C C C C C C C C C C C C N N N N N N N N N N N N N N N N N N N N N N N N