data_[Cs4Sr4Be4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [9.8777]
_cell_length_b [13.0818]
_cell_length_c [10.7119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSrBeBr5]
_chemical_formula_sum '[Cs4 Sr4 Be4 Br20]'
_cell_volume [1250.8716]
_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
[
  Cs  Cs0  4  0.0000  0.3545  0.7500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.0000  0.3091  0.2500  1.0
  Br  Br3  8  0.1038  0.2150  0.1416  1.0
  Br  Br4  8  0.1706  0.4076  0.4106  1.0
  Br  Br5  4  0.0000  0.0910  0.7500  1.0
]