data_[K8Rb4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [Cmcm]
_cell_length_a [5.2100]
_cell_length_b [15.2809]
_cell_length_c [16.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [K2RbHgBr4]
_chemical_formula_sum '[K8 Rb4 Hg4 Br16]'
_cell_volume [1286.6155]
_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
[
  K  K0  8  0.0000  0.3716  0.5497  1.0
  Rb  Rb1  4  0.0000  0.1393  0.7500  1.0
  Hg  Hg2  4  0.0000  0.1142  0.2500  1.0
  Br  Br3  8  0.0000  0.2614  0.1244  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
  Br  Br5  4  0.0000  0.4500  0.7500  1.0
]