data_[Cs4Be4Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1446]
_cell_length_b [8.1732]
_cell_length_c [9.7193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Be2HgBr6]
_chemical_formula_sum '[Cs4 Be4 Hg2 Br12]'
_cell_volume [1211.0109]
_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
[
  Cs  Cs0  4  0.1585  0.0000  0.7825  1.0
  Be  Be1  4  0.1323  0.0000  0.2045  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.1514  0.2202  0.1121  1.0
  Br  Br4  4  0.0851  0.0000  0.3808  1.0
]