data_[Al4In4Hg4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6466]
_cell_length_b [10.4805]
_cell_length_c [9.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlInHgBr4]
_chemical_formula_sum '[Al4 In4 Hg4 Br16]'
_cell_volume [1264.5505]
_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  0.1561  0.5000  0.2654  1.0
  In  In1  4  0.2448  0.0000  0.0934  1.0
  Hg  Hg2  4  0.0153  0.0000  0.8175  1.0
  Br  Br3  8  0.1712  0.3234  0.1235  1.0
  Br  Br4  4  0.0168  0.5000  0.6949  1.0
  Br  Br5  4  0.2067  0.0000  0.5288  1.0
]