data_[Sn2Hg2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [9.8010]
_cell_length_b [4.3120]
_cell_length_c [10.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnHgBiTe3]
_chemical_formula_sum '[Sn2 Hg2 Bi2 Te6]'
_cell_volume [446.1124]
_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
[
  Sn  Sn0  2  0.0108  0.7500  0.3191  1.0
  Hg  Hg1  2  0.2257  0.2500  0.2558  1.0
  Bi  Bi2  2  0.3345  0.7500  0.8928  1.0
  Te  Te3  2  0.1231  0.2500  0.9511  1.0
  Te  Te4  2  0.1765  0.7500  0.6028  1.0
  Te  Te5  2  0.4347  0.7500  0.1784  1.0
]