# generated using pymatgen
data_FeH2Cl5O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12307500
_cell_length_b   8.50862500
_cell_length_c   14.45320000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH2Cl5O3
_chemical_formula_sum   'Fe4 H8 Cl20 O12'
_cell_volume   875.97338885
_cell_formula_units_Z   4
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  0.81928100  0.25000000  0.10794800  1.0
  Fe  Fe1  1  0.68071900  0.25000000  0.60794800  1.0
  Fe  Fe2  1  0.18071900  0.75000000  0.89205200  1.0
  Fe  Fe3  1  0.31928100  0.75000000  0.39205200  1.0
  H  H4  1  0.57887700  0.05436500  0.39003100  1.0
  H  H5  1  0.92112300  0.44563500  0.89003100  1.0
  H  H6  1  0.42112300  0.55436500  0.60996900  1.0
  H  H7  1  0.07887700  0.94563500  0.10996900  1.0
  H  H8  1  0.42112300  0.94563500  0.60996900  1.0
  H  H9  1  0.07887700  0.55436500  0.10996900  1.0
  H  H10  1  0.57887700  0.44563500  0.39003100  1.0
  H  H11  1  0.92112300  0.05436500  0.89003100  1.0
  Cl  Cl12  1  0.13327800  0.25000000  0.16755400  1.0
  Cl  Cl13  1  0.36672200  0.25000000  0.66755400  1.0
  Cl  Cl14  1  0.86672200  0.75000000  0.83244600  1.0
  Cl  Cl15  1  0.63327800  0.75000000  0.33244600  1.0
  Cl  Cl16  1  0.64406600  0.25000000  0.26428000  1.0
  Cl  Cl17  1  0.85593400  0.25000000  0.76428000  1.0
  Cl  Cl18  1  0.35593400  0.75000000  0.73572000  1.0
  Cl  Cl19  1  0.14406600  0.75000000  0.23572000  1.0
  Cl  Cl20  1  0.76646100  0.98502800  0.11858500  1.0
  Cl  Cl21  1  0.73353900  0.51497200  0.61858500  1.0
  Cl  Cl22  1  0.23353900  0.48502800  0.88141500  1.0
  Cl  Cl23  1  0.26646100  0.01497200  0.38141500  1.0
  Cl  Cl24  1  0.23353900  0.01497200  0.88141500  1.0
  Cl  Cl25  1  0.26646100  0.48502800  0.38141500  1.0
  Cl  Cl26  1  0.76646100  0.51497200  0.11858500  1.0
  Cl  Cl27  1  0.73353900  0.98502800  0.61858500  1.0
  Cl  Cl28  1  0.59381200  0.25000000  0.97830300  1.0
  Cl  Cl29  1  0.90618800  0.25000000  0.47830300  1.0
  Cl  Cl30  1  0.40618800  0.75000000  0.02169700  1.0
  Cl  Cl31  1  0.09381200  0.75000000  0.52169700  1.0
  O  O32  1  0.95765300  0.25000000  0.99366000  1.0
  O  O33  1  0.54234700  0.25000000  0.49366000  1.0
  O  O34  1  0.04234700  0.75000000  0.00634000  1.0
  O  O35  1  0.45765300  0.75000000  0.50634000  1.0
  O  O36  1  0.21041600  0.54927000  0.13422700  1.0
  O  O37  1  0.28958400  0.95073000  0.63422700  1.0
  O  O38  1  0.78958400  0.04927000  0.86577300  1.0
  O  O39  1  0.71041600  0.45073000  0.36577300  1.0
  O  O40  1  0.78958400  0.45073000  0.86577300  1.0
  O  O41  1  0.71041600  0.04927000  0.36577300  1.0
  O  O42  1  0.21041600  0.95073000  0.13422700  1.0
  O  O43  1  0.28958400  0.54927000  0.63422700  1.0