data_[K4Sr4Fe4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7081]
_cell_length_b [12.8115]
_cell_length_c [10.7383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrFeBr5]
_chemical_formula_sum '[K4 Sr4 Fe4 Br20]'
_cell_volume [1227.0124]
_cell_formula_units_Z [4]
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  0.0000  0.3515  0.7500  1
  Sr  Sr1  4  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0000  0.3182  0.2500  1
  Br  Br3  8  0.1287  0.2108  0.1402  1
  Br  Br4  8  0.1667  0.4337  0.4294  1
  Br  Br5  4  0.0000  0.0997  0.7500  1
]