data_[Na24In3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.9516]
_cell_length_b [8.9516]
_cell_length_c [19.5009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na8InHg6]
_chemical_formula_sum '[Na24 In3 Hg18]'
_cell_volume [1353.2841]
_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
[
  Na  Na0  18  0.0025  0.3304  0.1158  1.0
  Na  Na1  6  0.0000  0.0000  0.3336  1.0
  In  In2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0013  0.3365  0.9481  1.0
]