data_[K4Sr2Fe2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2772]
_cell_length_b [7.5121]
_cell_length_c [12.6644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrFeCl6]
_chemical_formula_sum '[K4 Sr2 Fe2 Cl12]'
_cell_volume [570.9657]
_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  4  0.2273  0.0636  0.2471  1.0
  Sr  Sr1  2  0.5000  0.0000  0.0000  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1321  0.2224  0.9500  1.0
  Cl  Cl4  4  0.2332  0.6868  0.9535  1.0
  Cl  Cl5  4  0.3227  0.0245  0.7302  1.0
]