data_[Rb6Be3Pb3Br18]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9028]
_cell_length_b [7.9028]
_cell_length_c [23.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Rb2BePbBr6]
_chemical_formula_sum '[Rb6 Be3 Pb3 Br18]'
_cell_volume [1296.5799]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0321  1.0
  Rb  Rb1  3  0.0000  0.0000  0.5254  1.0
  Be  Be2  3  0.0000  0.0000  0.2564  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8160  1.0
  Br  Br4  9  0.0640  0.7295  0.4235  1.0
  Br  Br5  9  0.1035  0.3765  0.9218  1.0
]