data_[K4Rb4Be8Br24]
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
  Be  1.5700  1.0500  0.5900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5990]
_cell_length_b [13.0956]
_cell_length_c [9.2700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRb(BeBr3)2]
_chemical_formula_sum '[K4 Rb4 Be8 Br24]'
_cell_volume [1526.8068]
_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
[
  Rb  Rb0  4  0.0000  0.1399  0.2500  1.0
  K  K1  4  0.0000  0.4037  0.7500  1.0
  Be  Be2  8  0.2348  0.1079  0.6870  1.0
  Br  Br3  8  0.1080  0.3868  0.1498  1.0
  Br  Br4  8  0.1462  0.2422  0.6285  1.0
  Br  Br5  8  0.1731  0.0267  0.0675  1.0
]