data_[K6Rb8Ag2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6540]
_cell_length_b [9.4628]
_cell_length_c [9.5245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Rb4AgBr8]
_chemical_formula_sum '[K6 Rb8 Ag2 Br16]'
_cell_volume [1231.8554]
_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  0.2500  0.2500  0.0000  1.0
  Rb  Rb1  4  0.2500  0.2500  0.5000  1.0
  Rb  Rb2  2  0.0000  0.0000  0.0000  1.0
  Rb  Rb3  2  0.0000  0.5000  0.0000  1.0
  K  K4  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  8  0.0036  0.2275  0.7237  1.0
  Br  Br7  4  0.2460  0.5000  0.7545  1.0
  Br  Br8  4  0.2490  0.5000  0.2408  1.0
]