data_[Na4In12Hg24]
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 [Cmc2_1]
_cell_length_a [9.1629]
_cell_length_b [13.0227]
_cell_length_c [8.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na(InHg2)3]
_chemical_formula_sum '[Na4 In12 Hg24]'
_cell_volume [1073.7207]
_cell_formula_units_Z [4]
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  4  0.0000  0.1956  0.9617  1
  In  In1  8  0.1786  0.1448  0.5633  1
  In  In2  4  0.0000  0.4492  0.1091  1
  Hg  Hg3  8  0.1708  0.3477  0.7327  1
  Hg  Hg4  8  0.2179  0.4322  0.4034  1
  Hg  Hg5  4  0.0000  0.0226  0.2373  1
  Hg  Hg6  4  0.0000  0.2549  0.3079  1
]