# generated using pymatgen
data_Fe2C4Cl2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.93131672
_cell_length_b   11.97366101
_cell_length_c   9.00896276
_cell_angle_alpha   89.57885734
_cell_angle_beta   53.31137598
_cell_angle_gamma   37.10976668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C4Cl2O9
_chemical_formula_sum   'Fe4 C8 Cl4 O18'
_cell_volume   190.63295350
_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  0.18159700  0.95858800  0.81742300  1.0
  Fe  Fe1  1  0.04239200  0.81742300  0.95858800  1.0
  Fe  Fe2  1  0.43257700  0.20760800  0.06840300  1.0
  Fe  Fe3  1  0.29141200  0.06840300  0.20760800  1.0
  C  C4  1  0.99634800  0.15375900  0.70411000  1.0
  C  C5  1  0.14578300  0.70411000  0.15375900  1.0
  C  C6  1  0.54589000  0.10421700  0.25365200  1.0
  C  C7  1  0.09624100  0.25365200  0.10421700  1.0
  C  C8  1  0.02818100  0.22537900  0.74149700  1.0
  C  C9  1  0.00494300  0.74149700  0.22537900  1.0
  C  C10  1  0.50850300  0.24505700  0.22181900  1.0
  C  C11  1  0.02462100  0.22181900  0.24505700  1.0
  Cl  Cl12  1  0.05751000  0.89879400  0.57960600  1.0
  Cl  Cl13  1  0.46409100  0.57960600  0.89879400  1.0
  Cl  Cl14  1  0.67039400  0.78590900  0.19249000  1.0
  Cl  Cl15  1  0.35120600  0.19249000  0.78590900  1.0
  O  O16  1  0.18611500  0.08749700  0.74198100  1.0
  O  O17  1  0.98440700  0.74198100  0.08749700  1.0
  O  O18  1  0.50801900  0.26559300  0.06388500  1.0
  O  O19  1  0.16250300  0.06388500  0.26559300  1.0
  O  O20  1  0.42901300  0.70341900  0.16045400  1.0
  O  O21  1  0.70711400  0.16045400  0.70341900  1.0
  O  O22  1  0.08954600  0.54288600  0.82098700  1.0
  O  O23  1  0.54658100  0.82098700  0.54288600  1.0
  O  O24  1  0.93376900  0.40411600  0.74111400  1.0
  O  O25  1  0.92100100  0.74111400  0.40411600  1.0
  O  O26  1  0.50888600  0.32899900  0.31623100  1.0
  O  O27  1  0.84588400  0.31623100  0.32899900  1.0
  O  O28  1  0.07164400  0.00711200  0.75825500  1.0
  O  O29  1  0.16298900  0.75825500  0.00711200  1.0
  O  O30  1  0.49174500  0.08701100  0.17835600  1.0
  O  O31  1  0.24288800  0.17835600  0.08701100  1.0
  O  O32  1  0.15560400  0.84439600  0.84439600  1.0
  O  O33  1  0.40560400  0.09439600  0.09439600  1.0