data_FeH10Pt(C7N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   50.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH10Pt(C7N3)2
_chemical_formula_sum   'Fe1 H10 Pt1 C14 N6'
_cell_volume   387.39
_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
  Fe  Fe0  1  0.0  0.0  0.78  1.0
  H  H1  1  0.07  0.0  0.28  1.0
  H  H2  1  0.07  0.0  0.93  1.0
  H  H3  1  1.0  0.0  0.93  1.0
  H  H4  1  1.0  0.0  0.28  1.0
  H  H5  1  0.16  0.0  0.76  1.0
  H  H6  1  0.16  0.0  0.43  1.0
  H  H7  1  0.91  0.0  0.43  1.0
  H  H8  1  0.91  0.0  0.76  1.0
  H  H9  1  0.0  0.0  0.48  1.0
  H  H10  1  0.0  0.0  0.72  1.0
  Pt  Pt11  1  0.53  0.0  0.25  1.0
  C  C12  1  0.91  0.81  0.65  1.0
  C  C13  1  0.91  0.19  0.65  1.0
  C  C14  1  0.15  0.81  0.65  1.0
  C  C15  1  0.15  0.19  0.65  1.0
  C  C16  1  0.16  0.0  0.67  1.0
  C  C17  1  0.16  0.0  0.53  1.0
  C  C18  1  0.9  0.0  0.53  1.0
  C  C19  1  0.9  0.0  0.67  1.0
  C  C20  1  0.2  0.0  0.28  1.0
  C  C21  1  0.2  0.0  0.92  1.0
  C  C22  1  0.87  0.0  0.92  1.0
  C  C23  1  0.86  0.0  0.28  1.0
  C  C24  1  0.0  0.0  0.57  1.0
  C  C25  1  0.0  0.0  0.63  1.0
  N  N26  1  0.73  0.66  0.72  1.0
  N  N27  1  0.73  0.34  0.72  1.0
  N  N28  1  0.34  0.66  0.72  1.0
  N  N29  1  0.34  0.34  0.72  1.0
  N  N30  1  0.0  0.0  0.34  1.0
  N  N31  1  0.0  0.0  0.84  1.0

data_FeH10Pt(C7N3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.06
_cell_length_b   7.19
_cell_length_c   8.43
_cell_angle_alpha   115.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH10Pt(C7N3)2
_chemical_formula_sum   'Fe1 H10 Pt1 C14 N6'
_cell_volume   387.39
_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
  Fe  Fe0  1  0.0  0.78  0.78  1.0
  H  H1  1  0.0  0.48  0.48  1.0
  H  H2  1  0.0  0.72  0.72  1.0
  H  H3  1  0.0  0.28  0.28  1.0
  H  H4  1  0.0  0.93  0.93  1.0
  H  H5  1  0.09  0.43  0.43  1.0
  H  H6  1  0.09  0.76  0.76  1.0
  H  H7  1  0.84  0.76  0.76  1.0
  H  H8  1  0.84  0.43  0.43  1.0
  H  H9  1  0.93  0.93  0.93  1.0
  H  H10  1  0.93  0.28  0.28  1.0
  Pt  Pt11  1  0.47  0.25  0.25  1.0
  C  C12  1  0.0  0.57  0.57  1.0
  C  C13  1  0.0  0.63  0.63  1.0
  C  C14  1  0.09  0.65  0.47  1.0
  C  C15  1  0.09  0.65  0.84  1.0
  C  C16  1  0.1  0.67  0.67  1.0
  C  C17  1  0.1  0.53  0.53  1.0
  C  C18  1  0.13  0.92  0.92  1.0
  C  C19  1  0.14  0.28  0.28  1.0
  C  C20  1  0.8  0.28  0.28  1.0
  C  C21  1  0.8  0.92  0.92  1.0
  C  C22  1  0.84  0.53  0.53  1.0
  C  C23  1  0.84  0.67  0.67  1.0
  C  C24  1  0.85  0.65  0.84  1.0
  C  C25  1  0.85  0.65  0.47  1.0
  N  N26  1  0.0  0.34  0.34  1.0
  N  N27  1  0.0  0.84  0.84  1.0
  N  N28  1  0.27  0.72  0.06  1.0
  N  N29  1  0.27  0.72  0.37  1.0
  N  N30  1  0.66  0.72  0.06  1.0
  N  N31  1  0.66  0.72  0.37  1.0

Fe H H H H H H H H H H Pt C C C C C C C C C C C C C C N N N N N N
Fe H H H H H H H H H H Pt C C C C C C C C C C C C C C N N N N N N 0 10 o o o 0 31 o o o 0 8 - o o 0 13 - o o 1 4 - o o 1 20 o o o 2 3 - o o 2 21 o o o 3 22 o o o 4 30 + o o 4 23 o o o 5 16 o o o 5 15 o o o 6 17 o o o 6 14 o - o 7 18 o o o 7 9 + o o 7 12 o - o 8 19 o o o 8 10 + o o 8 13 o o o 9 18 - o o 9 24 o o o 9 12 - - o 10 13 - o o 10 19 - o o 11 20 o o o 11 23 o o o 12 18 o + o 12 25 + + o 12 24 + + o 12 26 o o o 13 19 o o o 13 31 + o o 13 27 o o o 14 17 o + o 14 28 o o o 15 16 o o o 15 29 o o o 18 24 + o o 19 25 + o o 21 29 o o o 22 27 o o o 23 30 + o o 24 25 o o o 26 27 o o o 27 29 o o o 28 29 o o o 