data_[K12Rb6Hg4]
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
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.0656]
_cell_length_b [6.0656]
_cell_length_c [38.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [K6Rb3Hg2]
_chemical_formula_sum '[K12 Rb6 Hg4]'
_cell_volume [1427.3210]
_cell_formula_units_Z [2]
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  0.5000  0.0902  1
  Rb  Rb1  4  0.0000  0.0000  0.2080  1
  K  K2  4  0.0000  0.0000  0.3259  1
  Rb  Rb3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.0000  0.4618  1
]