data_[Al1In1Hg2Br4]
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 [P1]
_cell_length_a [6.6545]
_cell_length_b [6.7212]
_cell_length_c [7.8713]
_cell_angle_alpha [90.8104]
_cell_angle_beta [100.6689]
_cell_angle_gamma [114.1133]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlIn(HgBr2)2]
_chemical_formula_sum '[Al1 In1 Hg2 Br4]'
_cell_volume [314.1963]
_cell_formula_units_Z [1]
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  1  0.0058  0.2831  0.2724  1.0
  In  In1  1  0.3648  0.0353  0.6058  1.0
  Hg  Hg2  1  0.0715  0.6503  0.8218  1.0
  Hg  Hg3  1  0.5235  0.5181  0.8077  1.0
  Br  Br4  1  0.0198  0.6342  0.2920  1.0
  Br  Br5  1  0.3641  0.3038  0.2712  1.0
  Br  Br6  1  0.7541  0.0805  0.0230  1.0
  Br  Br7  1  0.8964  0.1076  0.5190  1.0
]