# generated using pymatgen
data_K3Fe(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53803200
_cell_length_b   7.11207100
_cell_length_c   8.43281545
_cell_angle_alpha   72.82641675
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Fe(CN)6
_chemical_formula_sum   'K6 Fe2 C12 N12'
_cell_volume   603.83748019
_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
  K  K0  1  0.27190900  0.50133800  0.87525400  1.0
  K  K1  1  0.77190900  0.49866200  0.62474600  1.0
  K  K2  1  0.72809100  0.49866200  0.12474600  1.0
  K  K3  1  0.22809100  0.50133800  0.37525400  1.0
  K  K4  1  0.00000000  0.00000000  0.50000000  1.0
  K  K5  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe7  1  0.50000000  0.00000000  0.50000000  1.0
  C  C8  1  0.83589200  0.11903200  0.97160100  1.0
  C  C9  1  0.33589200  0.88096800  0.52839900  1.0
  C  C10  1  0.16410800  0.88096800  0.02839900  1.0
  C  C11  1  0.66410800  0.11903200  0.47160100  1.0
  C  C12  1  0.05174900  0.18251100  0.79445500  1.0
  C  C13  1  0.55174900  0.81748900  0.70554500  1.0
  C  C14  1  0.94825100  0.81748900  0.20554500  1.0
  C  C15  1  0.44825100  0.18251100  0.29445500  1.0
  C  C16  1  0.05455000  0.18325700  0.11271700  1.0
  C  C17  1  0.55455000  0.81674300  0.38728300  1.0
  C  C18  1  0.94545000  0.81674300  0.88728300  1.0
  C  C19  1  0.44545000  0.18325700  0.61271700  1.0
  N  N20  1  0.73622200  0.19762900  0.95212900  1.0
  N  N21  1  0.23622200  0.80237100  0.54787100  1.0
  N  N22  1  0.26377800  0.80237100  0.04787100  1.0
  N  N23  1  0.76377800  0.19762900  0.45212900  1.0
  N  N24  1  0.08279900  0.29312000  0.66647900  1.0
  N  N25  1  0.58279900  0.70688000  0.83352100  1.0
  N  N26  1  0.91720100  0.70688000  0.33352100  1.0
  N  N27  1  0.41720100  0.29312000  0.16647900  1.0
  N  N28  1  0.08863400  0.29394800  0.18390300  1.0
  N  N29  1  0.58863400  0.70605200  0.31609700  1.0
  N  N30  1  0.91136600  0.70605200  0.81609700  1.0
  N  N31  1  0.41136600  0.29394800  0.68390300  1.0