data_[Na2Hg2Bi2Te6]
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 [P2_1/m]
_cell_length_a [8.9862]
_cell_length_b [4.5148]
_cell_length_c [10.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHgBiTe3]
_chemical_formula_sum '[Na2 Hg2 Bi2 Te6]'
_cell_volume [415.2188]
_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  2  0.1913  0.2500  0.2494  1.0
  Hg  Hg1  2  0.0936  0.2500  0.6035  1.0
  Bi  Bi2  2  0.3316  0.7500  0.8622  1.0
  Te  Te3  2  0.0863  0.2500  0.8751  1.0
  Te  Te4  2  0.2536  0.7500  0.5225  1.0
  Te  Te5  2  0.4225  0.7500  0.1547  1.0
]