data_[K2Zn2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2898]
_cell_length_b [2.8117]
_cell_length_c [7.1274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KZnFe2]
_chemical_formula_sum '[K2 Zn2 Fe4]'
_cell_volume [165.0070]
_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  0.4999  0.0000  0.5079  1
  Zn  Zn1  2  0.2268  0.5000  0.1467  1
  Fe  Fe2  2  0.2783  0.0000  0.8617  1
  Fe  Fe3  2  0.4950  0.5000  0.9836  1
]