data_[Rb4Hg4Br12]
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 [14.3396]
_cell_length_b [10.5296]
_cell_length_c [5.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHgBr3]
_chemical_formula_sum '[Rb4 Hg4 Br12]'
_cell_volume [802.3022]
_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
[
  Rb  Rb0  4  0.2271  0.0000  0.7592  1.0
  Hg  Hg1  4  0.0000  0.3093  0.0000  1.0
  Br  Br2  8  0.1348  0.2007  0.2481  1.0
  Br  Br3  4  0.1017  0.5000  0.7547  1.0
]