# generated using pymatgen
data_FeH2C4N4Cl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11246100
_cell_length_b   9.61827700
_cell_length_c   12.21731500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH2C4N4Cl6O
_chemical_formula_sum   'Fe2 H4 C8 N8 Cl12 O2'
_cell_volume   835.78187718
_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
  Fe  Fe0  1  0.00109500  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00109500  0.50000000  0.50000000  1.0
  H  H2  1  0.53239100  0.53358300  0.05819200  1.0
  H  H3  1  0.53239100  0.46641700  0.94180800  1.0
  H  H4  1  0.53239100  0.96641700  0.55819200  1.0
  H  H5  1  0.53239100  0.03358300  0.44180800  1.0
  C  C6  1  0.49151300  0.76932700  0.82520800  1.0
  C  C7  1  0.49151300  0.23067300  0.17479200  1.0
  C  C8  1  0.49151300  0.73067300  0.32520800  1.0
  C  C9  1  0.49151300  0.26932700  0.67479200  1.0
  C  C10  1  0.05293800  0.63330000  0.16926000  1.0
  C  C11  1  0.05293800  0.36670000  0.83074000  1.0
  C  C12  1  0.05293800  0.86670000  0.66926000  1.0
  C  C13  1  0.05293800  0.13330000  0.33074000  1.0
  N  N14  1  0.91078300  0.57682700  0.14569300  1.0
  N  N15  1  0.91078300  0.42317300  0.85430700  1.0
  N  N16  1  0.91078300  0.92317300  0.64569300  1.0
  N  N17  1  0.91078300  0.07682700  0.35430700  1.0
  N  N18  1  0.50096400  0.78408600  0.92097500  1.0
  N  N19  1  0.50096400  0.21591400  0.07902500  1.0
  N  N20  1  0.50096400  0.71591400  0.42097500  1.0
  N  N21  1  0.50096400  0.28408600  0.57902500  1.0
  Cl  Cl22  1  0.99610400  0.21500200  0.08906100  1.0
  Cl  Cl23  1  0.99610400  0.78499800  0.91093900  1.0
  Cl  Cl24  1  0.99610400  0.28499800  0.58906100  1.0
  Cl  Cl25  1  0.99610400  0.71500200  0.41093900  1.0
  Cl  Cl26  1  0.23435700  0.91463800  0.12197800  1.0
  Cl  Cl27  1  0.23435700  0.08536200  0.87802200  1.0
  Cl  Cl28  1  0.23435700  0.58536200  0.62197800  1.0
  Cl  Cl29  1  0.23435700  0.41463800  0.37802200  1.0
  Cl  Cl30  1  0.76603600  0.92108700  0.11959400  1.0
  Cl  Cl31  1  0.76603600  0.07891300  0.88040600  1.0
  Cl  Cl32  1  0.76603600  0.57891300  0.61959400  1.0
  Cl  Cl33  1  0.76603600  0.42108700  0.38040600  1.0
  O  O34  1  0.61423600  0.50000000  0.00000000  1.0
  O  O35  1  0.61423600  0.00000000  0.50000000  1.0