data_[Rb1Hg1Ir1Br6]
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
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.1310]
_cell_length_b [7.1310]
_cell_length_c [7.5691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [RbHgIrBr6]
_chemical_formula_sum '[Rb1 Hg1 Ir1 Br6]'
_cell_volume [333.3255]
_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  0.6667  0.3333  0.0000  1.0
  Hg  Hg1  1  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  1  0.3333  0.6667  0.5000  1.0
  Br  Br3  6  0.0530  0.3741  0.6915  1.0
]