data_[Al4Hg4Te4]
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 [Imm2]
_cell_length_a [4.1895]
_cell_length_b [14.2697]
_cell_length_c [6.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AlHgTe]
_chemical_formula_sum '[Al4 Hg4 Te4]'
_cell_volume [396.6572]
_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
[
  Al  Al0  4  0.0000  0.3168  0.9263  1.0
  Hg  Hg1  2  0.0000  0.0000  0.7493  1.0
  Hg  Hg2  2  0.0000  0.5000  0.8755  1.0
  Te  Te3  4  0.0000  0.2973  0.3418  1.0
]