data_Al2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.87
_cell_angle_alpha   96.39
_cell_angle_beta   96.39
_cell_angle_gamma   31.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgW
_chemical_formula_sum   'Al2 Hg1 W1'
_cell_volume   68.65
_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  0.35  0.0  0.7  1.0
  Al  Al1  1  0.35  0.0  0.28  1.0
  Hg  Hg2  1  0.82  0.0  0.35  1.0
  W  W3  1  0.11  0.0  0.77  1.0

data_Al2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.87
_cell_length_c   5.2
_cell_angle_alpha   96.39
_cell_angle_beta   105.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2HgW
_chemical_formula_sum   'Al2 Hg1 W1'
_cell_volume   68.65
_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  0.28  0.35  1.0
  Al  Al1  1  0.0  0.7  0.35  1.0
  Hg  Hg2  1  0.0  0.35  0.82  1.0
  W  W3  1  0.0  0.77  0.11  1.0

Al Al Hg W
Al Al Hg W 0 3 o o o 0 1 o o o 1 3 o o - 1 2 o o o 1 2 - o o 2 2 + - o 2 3 + o o 