data_[Na6Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9611]
_cell_length_b [4.1882]
_cell_length_c [11.2554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8218]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(HgTe2)2]
_chemical_formula_sum '[Na6 Hg4 Te8]'
_cell_volume [585.9198]
_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  4  0.1144  0.5000  0.7393  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.1661  0.5000  0.3115  1.0
  Te  Te3  4  0.0921  0.0000  0.4101  1.0
  Te  Te4  4  0.1923  0.5000  0.0892  1.0
]