data_FeNiH4(C4N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.16
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH4(C4N3)2
_chemical_formula_sum   'Fe1 Ni1 H4 C8 N6'
_cell_volume   370.26
_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  0.0  1.0
  Ni  Ni1  1  0.0  0.58  0.63  1.0
  H  H2  1  0.82  0.0  0.08  1.0
  H  H3  1  0.82  0.0  0.18  1.0
  H  H4  1  0.3  0.0  0.08  1.0
  H  H5  1  0.3  0.0  0.18  1.0
  C  C6  1  0.0  0.87  0.33  1.0
  C  C7  1  0.0  0.29  0.93  1.0
  C  C8  1  0.0  0.29  0.33  1.0
  C  C9  1  0.0  0.87  0.93  1.0
  C  C10  1  0.25  0.0  0.15  1.0
  C  C11  1  0.25  0.0  0.11  1.0
  C  C12  1  0.87  0.0  0.15  1.0
  C  C13  1  0.87  0.0  0.11  1.0
  N  N14  1  0.0  0.7  0.5  1.0
  N  N15  1  0.0  0.46  0.76  1.0
  N  N16  1  0.0  0.46  0.5  1.0
  N  N17  1  0.0  0.7  0.76  1.0
  N  N18  1  0.96  0.0  0.0  1.0
  N  N19  1  0.16  0.0  0.0  1.0

data_FeNiH4(C4N3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.12
_cell_length_b   7.16
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH4(C4N3)2
_chemical_formula_sum   'Fe1 Ni1 H4 C8 N6'
_cell_volume   370.26
_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  0.0  1.0
  Ni  Ni1  1  0.0  0.58  0.63  1.0
  H  H2  1  0.3  0.0  0.08  1.0
  H  H3  1  0.3  0.0  0.18  1.0
  H  H4  1  0.82  0.0  0.08  1.0
  H  H5  1  0.82  0.0  0.18  1.0
  C  C6  1  0.0  0.29  0.33  1.0
  C  C7  1  0.0  0.29  0.93  1.0
  C  C8  1  0.0  0.87  0.33  1.0
  C  C9  1  0.0  0.87  0.93  1.0
  C  C10  1  0.25  0.0  0.11  1.0
  C  C11  1  0.25  0.0  0.15  1.0
  C  C12  1  0.87  0.0  0.11  1.0
  C  C13  1  0.87  0.0  0.15  1.0
  N  N14  1  0.0  0.46  0.5  1.0
  N  N15  1  0.0  0.46  0.76  1.0
  N  N16  1  0.0  0.7  0.5  1.0
  N  N17  1  0.0  0.7  0.76  1.0
  N  N18  1  0.16  0.0  0.0  1.0
  N  N19  1  0.96  0.0  0.0  1.0

Fe Ni H H H H C C C C C C C C N N N N N N
Fe Ni H H H H C C C C C C C C N N N N N N 0 18 - o o 0 7 o o - 0 9 o - - 0 19 o o o 1 16 o o o 1 15 o o o 1 14 o o o 1 17 o o o 2 13 o o o 3 12 o o o 3 6 + - o 4 11 o o o 4 19 o o o 5 10 o o o 6 13 - + o 6 12 - + o 6 14 o o o 7 18 - o + 7 15 o o o 8 16 o o o 9 18 - + + 10 11 o o o 10 19 o o o 11 19 o o o 12 13 o o o 