data_Al2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   152.52
_cell_angle_beta   132.06
_cell_angle_gamma   56.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgHg
_chemical_formula_sum   'Al2 Ag1 Hg1'
_cell_volume   76.58
_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  Al1  1  0.0  0.47  0.31  1.0
  Al  Al2  1  0.0  0.0  0.43  1.0
  Ag  Ag0  1  0.0  0.0  0.29  1.0
  Hg  Hg3  1  0.0  0.47  0.06  1.0

data_Al2AgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.94
_cell_length_c   6.08
_cell_angle_alpha   113.97
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgHg
_chemical_formula_sum   'Al2 Ag1 Hg1'
_cell_volume   76.58
_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  0.57  0.57  0.57  1.0
  Al  Al1  1  0.69  0.16  0.16  1.0
  Ag  Ag2  1  0.71  0.71  0.71  1.0
  Hg  Hg3  1  0.94  0.41  0.41  1.0

Al Al Ag Hg