data_[K6Sn3Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9409]
_cell_length_b [7.9409]
_cell_length_c [20.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2SnHgBr6]
_chemical_formula_sum '[K6 Sn3 Hg3 Br18]'
_cell_volume [1092.7960]
_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  0.0363  1.0
  K  K1  3  0.0000  0.0000  0.5354  1.0
  Sn  Sn2  3  0.0000  0.0000  0.8171  1.0
  Hg  Hg3  3  0.0000  0.0000  0.3160  1.0
  Br  Br4  9  0.0029  0.4078  0.5773  1.0
  Br  Br5  9  0.0126  0.5966  0.0744  1.0
]