# generated using pymatgen
data_Mn2Fe(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03665882
_cell_length_b   6.03665882
_cell_length_c   6.42802622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Fe(CN)6
_chemical_formula_sum   'Mn2 Fe1 C6 N6'
_cell_volume   202.86238798
_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
  Mn  Mn0  1  0.33333300  0.66666700  0.50000000  1
  Mn  Mn1  1  0.66666700  0.33333300  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  C  C3  1  0.00000000  0.75725800  0.82109700  1
  C  C4  1  0.24274200  0.00000000  0.17890300  1
  C  C5  1  0.00000000  0.24274200  0.17890300  1
  C  C6  1  0.24274200  0.24274200  0.82109700  1
  C  C7  1  0.75725800  0.75725800  0.17890300  1
  C  C8  1  0.75725800  0.00000000  0.82109700  1
  N  N9  1  0.61761700  0.00000000  0.69093900  1
  N  N10  1  0.00000000  0.38238300  0.30906100  1
  N  N11  1  0.61761700  0.61761700  0.30906100  1
  N  N12  1  0.00000000  0.61761700  0.69093900  1
  N  N13  1  0.38238300  0.00000000  0.30906100  1
  N  N14  1  0.38238300  0.38238300  0.69093900  1
