data_[Tl2Hg2Bi2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0775]
_cell_length_b [4.1696]
_cell_length_c [9.7278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlHgBiS3]
_chemical_formula_sum '[Tl2 Hg2 Bi2 S6]'
_cell_volume [364.7231]
_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
[
  Tl  Tl0  2  0.1631  0.2500  0.2126  1.0
  Hg  Hg1  2  0.1208  0.2500  0.6030  1.0
  Bi  Bi2  2  0.3559  0.7500  0.8660  1.0
  S  S3  2  0.1498  0.2500  0.8708  1.0
  S  S4  2  0.1934  0.7500  0.4751  1.0
  S  S5  2  0.4152  0.7500  0.1331  1.0
]