data_AlAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   4.71
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Hg
_chemical_formula_sum   'Al1 Ag2 Hg1'
_cell_volume   74.82
_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  Al2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.67  0.35  0.0  1.0
  Ag  Ag1  1  0.0  0.35  0.38  1.0
  Hg  Hg3  1  0.67  0.0  0.38  1.0

data_AlAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.71
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAg2Hg
_chemical_formula_sum   'Al1 Ag2 Hg1'
_cell_volume   74.82
_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
  Ag  Ag1  1  -0.0  0.35  0.38  1.0
  Ag  Ag2  1  0.67  0.35  -0.0  1.0
  Hg  Hg3  1  0.67  0.0  0.38  1.0

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