data_[Rb4Hg6Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [15.7981]
_cell_length_b [11.0021]
_cell_length_c [6.7906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Hg3Br8]
_chemical_formula_sum '[Rb4 Hg6 Br16]'
_cell_volume [1119.8964]
_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
[
  Rb  Rb0  4  0.2206  0.5000  0.5284  1.0
  Hg  Hg1  4  0.0000  0.3147  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1037  0.2280  0.3448  1.0
  Br  Br4  4  0.1083  0.5000  0.9132  1.0
  Br  Br5  4  0.1382  0.0000  0.8040  1.0
]