data_[Rb1In1Hg2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2377]
_cell_length_b [7.5347]
_cell_length_c [8.2902]
_cell_angle_alpha [82.2119]
_cell_angle_beta [66.0800]
_cell_angle_gamma [62.1040]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbIn(HgBr2)2]
_chemical_formula_sum '[Rb1 In1 Hg2 Br4]'
_cell_volume [364.4253]
_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  1  0.4899  0.9571  0.4237  1.0
  In  In1  1  0.9880  0.7153  0.7265  1.0
  Hg  Hg2  1  0.0433  0.4085  0.1843  1.0
  Hg  Hg3  1  0.5516  0.4149  0.1759  1.0
  Br  Br4  1  0.0025  0.3782  0.6889  1.0
  Br  Br5  1  0.3253  0.6761  0.7795  1.0
  Br  Br6  1  0.6029  0.9318  0.9669  1.0
  Br  Br7  1  0.9965  0.9052  0.4414  1.0
]