data_[K6Hg3Sb3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9674]
_cell_length_b [7.9674]
_cell_length_c [20.4981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2HgSbBr6]
_chemical_formula_sum '[K6 Hg3 Sb3 Br18]'
_cell_volume [1126.8904]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0295  1.0
  K  K1  3  0.0000  0.0000  0.5352  1.0
  Hg  Hg2  3  0.0000  0.0000  0.8201  1.0
  Sb  Sb3  3  0.0000  0.0000  0.3231  1.0
  Br  Br4  9  0.0211  0.6011  0.0727  1.0
  Br  Br5  9  0.0852  0.3441  0.9121  1.0
]