data_[Na4In12Hg8]
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 [C2/m]
_cell_length_a [16.1846]
_cell_length_b [5.0326]
_cell_length_c [9.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaIn3Hg2]
_chemical_formula_sum '[Na4 In12 Hg8]'
_cell_volume [642.9208]
_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  0.1274  0.0000  0.1074  1.0
  In  In1  4  0.0092  0.0000  0.3423  1.0
  In  In2  4  0.1235  0.5000  0.6386  1.0
  In  In3  4  0.2470  0.0000  0.5870  1.0
  Hg  Hg4  4  0.0130  0.5000  0.1700  1.0
  Hg  Hg5  4  0.2450  0.0000  0.9056  1.0
]