data_AlAgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   3.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgHg
_chemical_formula_sum   'Al1 Ag1 Hg1'
_cell_volume   59.23
_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  0.0  0.14  1.0
  Ag  Ag0  1  1.0  0.66  0.14  1.0
  Hg  Hg2  1  0.3  0.33  0.94  1.0

data_AlAgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgHg
_chemical_formula_sum   'Al1 Ag1 Hg1'
_cell_volume   59.23
_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  0.14  0.0  0.0  1.0
  Ag  Ag1  1  0.14  1.0  0.66  1.0
  Hg  Hg2  1  0.94  0.3  0.33  1.0

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