data_[Rb4Sr4Be4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  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 [9.6843]
_cell_length_b [12.7446]
_cell_length_c [10.6508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbSrBeBr5]
_chemical_formula_sum '[Rb4 Sr4 Be4 Br20]'
_cell_volume [1196.7272]
_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  0.3568  0.2500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.0000  0.3124  0.7500  1.0
  Br  Br3  8  0.1150  0.2153  0.6489  1.0
  Br  Br4  8  0.1650  0.4137  0.9144  1.0
  Br  Br5  4  0.0000  0.0981  0.2500  1.0
]