# generated using pymatgen
data_FeCoH18(CN2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34049152
_cell_length_b   7.34049152
_cell_length_c   7.34049177
_cell_angle_alpha   97.61974002
_cell_angle_beta   97.61974002
_cell_angle_gamma   97.61973782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoH18(CN2)6
_chemical_formula_sum   'Fe1 Co1 H18 C6 N12'
_cell_volume   384.00511710
_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  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  H  H2  1  0.79447100  0.55094300  0.34714500  1.0
  H  H3  1  0.34714500  0.79447100  0.55094300  1.0
  H  H4  1  0.55094300  0.34714500  0.79447100  1.0
  H  H5  1  0.20552900  0.44905700  0.65285500  1.0
  H  H6  1  0.65285500  0.20552900  0.44905700  1.0
  H  H7  1  0.44905700  0.65285500  0.20552900  1.0
  H  H8  1  0.83997200  0.65478400  0.56421100  1.0
  H  H9  1  0.56421100  0.83997200  0.65478400  1.0
  H  H10  1  0.65478400  0.56421100  0.83997200  1.0
  H  H11  1  0.16002800  0.34521600  0.43578900  1.0
  H  H12  1  0.43578900  0.16002800  0.34521600  1.0
  H  H13  1  0.34521600  0.43578900  0.16002800  1.0
  H  H14  1  0.72669000  0.75414000  0.40583400  1.0
  H  H15  1  0.40583400  0.72669000  0.75414000  1.0
  H  H16  1  0.75414000  0.40583400  0.72669000  1.0
  H  H17  1  0.27331000  0.24586000  0.59416600  1.0
  H  H18  1  0.59416600  0.27331000  0.24586000  1.0
  H  H19  1  0.24586000  0.59416600  0.27331000  1.0
  C  C20  1  0.87446000  0.04908300  0.77098900  1.0
  C  C21  1  0.77098900  0.87446000  0.04908300  1.0
  C  C22  1  0.04908300  0.77098900  0.87446000  1.0
  C  C23  1  0.12554000  0.95091700  0.22901100  1.0
  C  C24  1  0.22901100  0.12554000  0.95091700  1.0
  C  C25  1  0.95091700  0.22901100  0.12554000  1.0
  N  N26  1  0.79244800  0.07520900  0.62999100  1.0
  N  N27  1  0.62999100  0.79244800  0.07520900  1.0
  N  N28  1  0.07520900  0.62999100  0.79244800  1.0
  N  N29  1  0.20755200  0.92479100  0.37000900  1.0
  N  N30  1  0.37000900  0.20755200  0.92479100  1.0
  N  N31  1  0.92479100  0.37000900  0.20755200  1.0
  N  N32  1  0.73886100  0.62823100  0.44868600  1.0
  N  N33  1  0.44868600  0.73886100  0.62823100  1.0
  N  N34  1  0.62823100  0.44868600  0.73886100  1.0
  N  N35  1  0.26113900  0.37176900  0.55131400  1.0
  N  N36  1  0.55131400  0.26113900  0.37176900  1.0
  N  N37  1  0.37176900  0.55131400  0.26113900  1.0