data_[Na8Hg4Bi4Te16]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.5721]
_cell_length_b [12.9100]
_cell_length_c [8.9770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2HgBiTe4]
_chemical_formula_sum '[Na8 Hg4 Bi4 Te16]'
_cell_volume [1042.7788]
_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  0.5000  0.0000  1
  Na  Na1  4  0.2500  0.2500  0.0000  1
  Hg  Hg2  4  0.2500  0.2500  0.5000  1
  Bi  Bi3  4  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.0273  0.2451  0.5025  1
  Te  Te5  8  0.2449  0.0082  0.9907  1
]