data_[K4Ac2Ag2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7740]
_cell_length_b [8.1849]
_cell_length_c [13.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2AcAgBr6]
_chemical_formula_sum '[K4 Ac2 Ag2 Br12]'
_cell_volume [727.8889]
_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  0.2088  0.5797  0.7414  1
  Ac  Ac1  2  0.5000  0.0000  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.1279  0.7019  0.4407  1
  Br  Br4  4  0.2390  0.1929  0.4382  1
  Br  Br5  4  0.3688  0.5380  0.2466  1
]