data_AlHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   144.55
_cell_angle_beta   115.32
_cell_angle_gamma   75.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgBr2
_chemical_formula_sum   'Al1 Hg1 Br2'
_cell_volume   112.31
_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  0.0  0.0  0.4  1.0
  Hg  Hg3  1  0.83  0.0  0.44  1.0
  Br  Br1  1  0.83  0.0  0.56  1.0
  Br  Br2  1  0.0  0.0  0.84  1.0

data_AlHgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   64.68
_cell_angle_beta   72.27
_cell_angle_gamma   72.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgBr2
_chemical_formula_sum   'Al1 Hg1 Br2'
_cell_volume   112.31
_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  0.0  0.0  0.4  1.0
  Hg  Hg1  1  0.0  0.17  0.44  1.0
  Br  Br2  1  0.0  -0.0  0.84  1.0
  Br  Br3  1  0.0  0.17  0.56  1.0

Al Hg Br Br