data_[Rb10Be2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [I-4]
_cell_length_a [9.9561]
_cell_length_b [9.9561]
_cell_length_c [12.3035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Rb5BeBr8]
_chemical_formula_sum '[Rb10 Be2 Br16]'
_cell_volume [1219.5864]
_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
[
  Rb  Rb0  8  0.1349  0.2839  0.1117  1
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  Be  Be2  2  0.0000  0.5000  0.7500  1
  Br  Br3  8  0.0226  0.3119  0.8422  1
  Br  Br4  8  0.1171  0.2902  0.3935  1
]