data_[In4Hg8Te16Pb4]
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
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.2418]
_cell_length_b [10.9740]
_cell_length_c [12.1589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [InHg2Te4Pb]
_chemical_formula_sum '[In4 Hg8 Te16 Pb4]'
_cell_volume [1233.1470]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5011  1
  Hg  Hg1  8  0.2500  0.2500  0.2324  1
  Te  Te2  8  0.0000  0.2235  0.3857  1
  Te  Te3  8  0.2485  0.0000  0.6443  1
  Pb  Pb4  4  0.0000  0.0000  0.9738  1
]