data_BaAgHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.83
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgHg2
_chemical_formula_sum   'Ba1 Ag1 Hg2'
_cell_volume   124.59
_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
  Ba  Ba1  1  0.11  0.41  0.52  1.0
  Ag  Ag0  1  0.13  0.0  0.09  1.0
  Hg  Hg2  1  0.71  0.0  0.19  1.0
  Hg  Hg3  1  0.26  0.41  0.59  1.0

data_BaAgHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.83
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgHg2
_chemical_formula_sum   'Ba1 Ag1 Hg2'
_cell_volume   124.59
_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
  Ba  Ba0  1  0.11  0.41  0.52  1.0
  Ag  Ag1  1  0.13  0.0  0.09  1.0
  Hg  Hg2  1  0.26  0.41  0.59  1.0
  Hg  Hg3  1  0.71  0.0  0.19  1.0

Ba Ag Hg Hg