data_[K6Rb12Na36Hg6]
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
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6543]
_cell_length_b [8.6543]
_cell_length_c [47.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KRb2Na6Hg]
_chemical_formula_sum '[K6 Rb12 Na36 Hg6]'
_cell_volume [3057.9875]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.0989  1
  Rb  Rb1  6  0.0000  0.0000  0.2751  1
  K  K2  6  0.0000  0.0000  0.4268  1
  Na  Na3  18  0.0466  0.5233  0.3094  1
  Na  Na4  18  0.0624  0.5312  0.8539  1
  Hg  Hg5  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg6  3  0.0000  0.0000  0.0000  1
]