data_[In3Ag3Hg2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-4]
_cell_length_a [6.6204]
_cell_length_b [6.6204]
_cell_length_c [13.0061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [81]
_chemical_formula_structural [In3Ag3(HgTe4)2]
_chemical_formula_sum '[In3 Ag3 Hg2 Te8]'
_cell_volume [570.0570]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.7508  1.0
  In  In1  1  0.5000  0.5000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.2495  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg5  1  0.5000  0.5000  0.5000  1.0
  Te  Te6  4  0.2438  0.2490  0.1247  1.0
  Te  Te7  4  0.2462  0.7478  0.3715  1.0
]