data_BaAg2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.1
_cell_angle_alpha   112.12
_cell_angle_beta   112.12
_cell_angle_gamma   54.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2Hg
_chemical_formula_sum   'Ba1 Ag2 Hg1'
_cell_volume   114.85
_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  Ba2  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.33  0.0  0.44  1.0
  Ag  Ag1  1  0.06  0.0  0.09  1.0
  Hg  Hg3  1  0.2  0.0  0.76  1.0

data_BaAg2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   5.05
_cell_length_c   6.1
_cell_angle_alpha   112.12
_cell_angle_beta   90.0
_cell_angle_gamma   117.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg2Hg
_chemical_formula_sum   'Ba1 Ag2 Hg1'
_cell_volume   114.85
_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  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.67  0.56  1.0
  Ag  Ag2  1  0.0  0.94  0.91  1.0
  Hg  Hg3  1  0.0  0.8  0.24  1.0

Ba Ag Ag Hg