data_Ag2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.1
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgBi
_chemical_formula_sum   'Ag2 Hg1 Bi1'
_cell_volume   90.73
_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
  Ag  Ag0  1  0.63  0.05  0.52  1.0
  Ag  Ag1  1  0.63  0.05  0.29  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.0  0.4  1.0

data_Ag2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.1
_cell_length_c   6.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgBi
_chemical_formula_sum   'Ag2 Hg1 Bi1'
_cell_volume   90.73
_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
  Ag  Ag0  1  0.63  0.05  0.29  1.0
  Ag  Ag1  1  0.63  0.05  0.52  1.0
  Hg  Hg2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.4  1.0

Ag Ag Hg Bi
Ag Ag Hg Bi 0 3 + o o 0 1 o o o 1 3 + o o 1 2 + o o 1 2 o o o 2 3 o o o 