data_[Al4Ga8Hg4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2069]
_cell_length_b [14.3804]
_cell_length_c [7.4220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlGa2HgTe6]
_chemical_formula_sum '[Al4 Ga8 Hg4 Te24]'
_cell_volume [1384.6128]
_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  0.1686  0.2500  1
  Ga  Ga1  8  0.1876  0.4169  0.6953  1
  Hg  Hg2  4  0.0000  0.1918  0.7500  1
  Te  Te3  8  0.1033  0.4401  0.9560  1
  Te  Te4  8  0.1105  0.0654  0.1065  1
  Te  Te5  8  0.1430  0.2370  0.5872  1
]