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 [9.4048]
_cell_length_b [13.4205]
_cell_length_c [8.7283]
_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 [1101.6732]
_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  0.1954  0.4597  1.0
  In  In1  8  0.1804  0.1454  0.0653  1.0
  In  In2  4  0.0000  0.4491  0.6104  1.0
  Hg  Hg3  8  0.1728  0.3489  0.2324  1.0
  Hg  Hg4  8  0.2174  0.4326  0.9032  1.0
  Hg  Hg5  4  0.0000  0.0212  0.7340  1.0
  Hg  Hg6  4  0.0000  0.2549  0.8087  1.0
]