data_[In10Hg2Te8]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.7713]
_cell_length_b [10.9437]
_cell_length_c [7.5858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [In5HgTe4]
_chemical_formula_sum '[In10 Hg2 Te8]'
_cell_volume [728.1692]
_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  8  0.1794  0.2533  0.7248  1
  In  In1  2  0.0000  0.5000  0.3347  1
  Hg  Hg2  2  0.0000  0.0000  0.8833  1
  Te  Te3  4  0.0000  0.2882  0.1171  1
  Te  Te4  4  0.2311  0.0000  0.4575  1
]