data_Al2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   131.21
_cell_angle_beta   131.21
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AgHg
_chemical_formula_sum   'Al2 Ag1 Hg1'
_cell_volume   75.1
_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  0.12  0.0  0.09  1.0
  Al  Al2  1  0.0  0.12  0.09  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.17  1.0

data_Al2AgHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   125.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2AgHg
_chemical_formula_sum   'Al4 Ag2 Hg2'
_cell_volume   150.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.48  0.44  0.04  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  2  0.33  0.5  0.83  1.0

Al Al Ag Hg