data_[Rb4Hg2Br12]
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 [P2_1/c]
_cell_length_a [7.4962]
_cell_length_b [9.5527]
_cell_length_c [11.5880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2HgBr6]
_chemical_formula_sum '[Rb4 Hg2 Br12]'
_cell_volume [749.3033]
_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  0.2197  0.5889  0.2714  1.0
  Hg  Hg1  2  0.5000  0.0000  0.5000  1.0
  Br  Br2  4  0.1763  0.6216  0.9446  1.0
  Br  Br3  4  0.2966  0.2077  0.9896  1.0
  Br  Br4  4  0.3089  0.2223  0.2445  1.0
]