data_[K1Fe2Ag1Br8]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8820]
_cell_length_b [6.8820]
_cell_length_c [9.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KFe2AgBr8]
_chemical_formula_sum '[K1 Fe2 Ag1 Br8]'
_cell_volume [402.7685]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.3333  0.6667  0.7514  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Br  Br3  6  0.0101  0.3336  0.6796  1
  Br  Br4  2  0.3333  0.6667  0.9907  1
]