data_AlHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgSe2
_chemical_formula_sum   'Al1 Hg1 Se2'
_cell_volume   94.47
_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  0.0  1.0
  Hg  Hg1  1  0.77  0.0  0.0  1.0
  Se  Se2  1  0.39  0.96  0.44  1.0
  Se  Se3  1  0.39  0.04  0.44  1.0

data_AlHgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.55
_cell_length_c   6.54
_cell_angle_alpha   115.1
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlHgSe2
_chemical_formula_sum   'Al1 Hg1 Se2'
_cell_volume   94.47
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.77  1.0
  Se  Se2  1  0.44  0.04  0.43  1.0
  Se  Se3  1  0.44  0.96  0.35  1.0

Al Hg Se Se