data_[K2Cr2Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7704]
_cell_length_b [2.8610]
_cell_length_c [6.6981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCrFe2]
_chemical_formula_sum '[K2 Cr2 Fe4]'
_cell_volume [165.7164]
_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  0.4961  0.0000  0.4896  1
  Cr  Cr1  2  0.2878  0.0000  0.8882  1
  Fe  Fe2  2  0.0087  0.0000  0.9908  1
  Fe  Fe3  2  0.2074  0.5000  0.1314  1
]