data_[K2Fe6N6]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [18.2985]
_cell_length_b [3.4859]
_cell_length_c [12.6171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K(FeN)3]
_chemical_formula_sum '[K2 Fe6 N6]'
_cell_volume [804.7920]
_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  2  0.5000  0.0000  0.9153  1
  Fe  Fe1  4  0.4149  0.0000  0.1377  1
  Fe  Fe2  2  0.5000  0.0000  0.6645  1
  N  N3  4  0.4099  0.0000  0.5976  1
  N  N4  2  0.5000  0.0000  0.2246  1
]