data_[K8Ag4I4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [14.7296]
_cell_length_b [9.0848]
_cell_length_c [8.1857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2AgIBr2]
_chemical_formula_sum '[K8 Ag4 I4 Br8]'
_cell_volume [1095.3750]
_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  8  0.1657  0.3272  0.6733  1
  Ag  Ag1  4  0.0000  0.1675  0.2039  1
  I  I2  4  0.0000  0.1129  0.8592  1
  Br  Br3  8  0.1504  0.3345  0.2818  1
]