data_[Rb2Be2Hg1Cl6]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3704]
_cell_length_b [8.1047]
_cell_length_c [8.8694]
_cell_angle_alpha [86.7972]
_cell_angle_beta [67.2601]
_cell_angle_gamma [68.4061]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2Be2HgCl6]
_chemical_formula_sum '[Rb2 Be2 Hg1 Cl6]'
_cell_volume [452.0252]
_cell_formula_units_Z [1]
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  2  0.3373  0.8000  0.2114  1.0
  Be  Be1  2  0.2741  0.8815  0.7899  1.0
  Hg  Hg2  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  2  0.1811  0.9250  0.6113  1.0
  Cl  Cl4  2  0.2380  0.0816  0.9234  1.0
  Cl  Cl5  2  0.4119  0.6439  0.8369  1.0
]