data_[In2Hg2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [9.7926]
_cell_length_b [4.5458]
_cell_length_c [10.7572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [InHgBiTe3]
_chemical_formula_sum '[In2 Hg2 Bi2 Te6]'
_cell_volume [464.9291]
_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
[
  In  In0  2  0.0741  0.2500  0.6397  1.0
  Hg  Hg1  2  0.2018  0.2500  0.2577  1.0
  Bi  Bi2  2  0.3382  0.7500  0.8906  1.0
  Te  Te3  2  0.1125  0.2500  0.9037  1.0
  Te  Te4  2  0.2014  0.7500  0.5381  1.0
  Te  Te5  2  0.4519  0.7500  0.1669  1.0
]