data_[K6Rb2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.5761]
_cell_length_b [13.5361]
_cell_length_c [4.7835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [K3RbBr4]
_chemical_formula_sum '[K6 Rb2 Br8]'
_cell_volume [620.0495]
_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
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  K  K2  2  0.0000  0.5000  0.5000  1
  Br  Br3  4  0.0000  0.2539  0.5000  1
  Br  Br4  4  0.2418  0.5000  0.0000  1
]