data_[In18Ag3Hg36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.9492]
_cell_length_b [10.9492]
_cell_length_c [15.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6AgHg12]
_chemical_formula_sum '[In18 Ag3 Hg36]'
_cell_volume [1629.0292]
_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
[
  In  In0  18  0.0009  0.5454  0.3285  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0229  0.8464  0.8303  1.0
  Hg  Hg3  18  0.0782  0.8654  0.4185  1.0
]