data_[Na12In4Hg2]
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 [8.5740]
_cell_length_b [16.5563]
_cell_length_c [3.9307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6In2Hg]
_chemical_formula_sum '[Na12 In4 Hg2]'
_cell_volume [541.7238]
_cell_formula_units_Z [2]
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  8  0.1765  0.3285  0.8015  1.0
  Na  Na1  4  0.1914  0.5000  0.3270  1.0
  In  In2  4  0.0000  0.1434  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
]