data_[K12In36Sn6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8908]
_cell_length_b [7.8908]
_cell_length_c [39.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2In6SnHg]
_chemical_formula_sum '[K12 In36 Sn6 Hg6]'
_cell_volume [2143.4867]
_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
[
  K  K0  6  0.0000  0.0000  0.1509  1
  K  K1  6  0.0000  0.0000  0.2907  1
  In  In2  18  0.0350  0.5175  0.1111  1
  In  In3  18  0.0799  0.5400  0.7327  1
  Sn  Sn4  6  0.0000  0.0000  0.3779  1
  Hg  Hg5  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg6  3  0.0000  0.0000  0.0000  1
]