data_[K2Fe1Cu1C6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8411]
_cell_length_b [7.0323]
_cell_length_c [7.1569]
_cell_angle_alpha [62.6278]
_cell_angle_beta [62.3818]
_cell_angle_gamma [89.2548]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2FeCu(CN)6]
_chemical_formula_sum '[K2 Fe1 Cu1 C6 N6]'
_cell_volume [262.0119]
_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
[
  K  K0  2  0.2602  0.7733  0.4594  1
  Fe  Fe1  1  0.5000  0.5000  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  C  C3  2  0.2948  0.3854  0.3393  1
  C  C4  2  0.3250  0.2879  0.0125  1
  C  C5  2  0.3289  0.7031  0.9255  1
  N  N6  2  0.1653  0.3166  0.5500  1
  N  N7  2  0.2181  0.1478  0.0247  1
  N  N8  2  0.2290  0.8383  0.8742  1
]