data_[Al4Hg2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [6.2854]
_cell_length_b [6.2854]
_cell_length_c [11.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Al2HgTe4]
_chemical_formula_sum '[Al4 Hg2 Te8]'
_cell_volume [472.9565]
_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
[
  Al  Al0  2  0.0000  0.0000  0.5000  1.0
  Al  Al1  2  0.0000  0.5000  0.2500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.2255  0.2428  0.6382  1.0
]