# generated using pymatgen
data_Mn11(CN5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78078529
_cell_length_b   12.78078529
_cell_length_c   2.84123858
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn11(CN5)2
_chemical_formula_sum   'Mn22 C4 N20'
_cell_volume   464.11198242
_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
  Mn  Mn0  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1
  Mn  Mn2  1  0.78043900  0.99450600  0.50000000  1
  Mn  Mn3  1  0.21956100  0.00549400  0.50000000  1
  Mn  Mn4  1  0.28043900  0.50549400  0.00000000  1
  Mn  Mn5  1  0.71956100  0.49450600  0.00000000  1
  Mn  Mn6  1  0.99450600  0.78043900  0.50000000  1
  Mn  Mn7  1  0.00549400  0.21956100  0.50000000  1
  Mn  Mn8  1  0.50549400  0.28043900  0.00000000  1
  Mn  Mn9  1  0.49450600  0.71956100  0.00000000  1
  Mn  Mn10  1  0.65533700  0.65533700  0.50000000  1
  Mn  Mn11  1  0.34466300  0.34466300  0.50000000  1
  Mn  Mn12  1  0.15533700  0.84466300  0.00000000  1
  Mn  Mn13  1  0.84466300  0.15533700  0.00000000  1
  Mn  Mn14  1  0.92628100  0.40845300  0.50000000  1
  Mn  Mn15  1  0.07371900  0.59154700  0.50000000  1
  Mn  Mn16  1  0.42628100  0.09154700  0.00000000  1
  Mn  Mn17  1  0.57371900  0.90845300  0.00000000  1
  Mn  Mn18  1  0.40845300  0.92628100  0.50000000  1
  Mn  Mn19  1  0.59154700  0.07371900  0.50000000  1
  Mn  Mn20  1  0.09154700  0.42628100  0.00000000  1
  Mn  Mn21  1  0.90845300  0.57371900  0.00000000  1
  C  C22  1  0.69711100  0.30288900  0.50000000  1
  C  C23  1  0.30288900  0.69711100  0.50000000  1
  C  C24  1  0.19711100  0.19711100  0.00000000  1
  C  C25  1  0.80288900  0.80288900  0.00000000  1
  N  N26  1  0.91683600  0.08316400  0.50000000  1
  N  N27  1  0.08316400  0.91683600  0.50000000  1
  N  N28  1  0.41683600  0.41683600  0.00000000  1
  N  N29  1  0.58316400  0.58316400  0.00000000  1
  N  N30  1  0.17655600  0.48388200  0.50000000  1
  N  N31  1  0.82344400  0.51611800  0.50000000  1
  N  N32  1  0.67655600  0.01611800  0.00000000  1
  N  N33  1  0.32344400  0.98388200  0.00000000  1
  N  N34  1  0.48388200  0.17655600  0.50000000  1
  N  N35  1  0.51611800  0.82344400  0.50000000  1
  N  N36  1  0.01611800  0.67655600  0.00000000  1
  N  N37  1  0.98388200  0.32344400  0.00000000  1
  N  N38  1  0.76481000  0.23519000  0.50000000  1
  N  N39  1  0.23519000  0.76481000  0.50000000  1
  N  N40  1  0.26481000  0.26481000  0.00000000  1
  N  N41  1  0.73519000  0.73519000  0.00000000  1
  N  N42  1  0.62775200  0.37224800  0.50000000  1
  N  N43  1  0.37224800  0.62775200  0.50000000  1
  N  N44  1  0.12775200  0.12775200  0.00000000  1
  N  N45  1  0.87224800  0.87224800  0.00000000  1
