data_[Na8Hg2Sb6Te16]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2316]
_cell_length_b [8.7092]
_cell_length_c [9.2404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4HgSb3Te8]
_chemical_formula_sum '[Na8 Hg2 Sb6 Te16]'
_cell_volume [1024.4602]
_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  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb4  4  0.2500  0.2500  0.5000  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  8  0.0073  0.2473  0.2730  1.0
  Te  Te7  4  0.2432  0.5000  0.7306  1.0
  Te  Te8  4  0.2487  0.0000  0.7344  1.0
]