data_Ba2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   39.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgAu
_chemical_formula_sum   'Ba2 Hg1 Au1'
_cell_volume   147.39
_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  0.0  0.0  0.12  1.0
  Ba  Ba2  1  0.64  0.0  0.16  1.0
  Hg  Hg3  1  0.64  0.0  0.62  1.0
  Au  Au0  1  0.0  0.0  0.69  1.0

data_Ba2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   5.28
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   109.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HgAu
_chemical_formula_sum   'Ba2 Hg1 Au1'
_cell_volume   147.39
_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  0.84  0.64  0.84  1.0
  Ba  Ba1  1  0.88  0.0  0.88  1.0
  Hg  Hg2  1  0.38  0.64  0.38  1.0
  Au  Au3  1  0.31  0.0  0.31  1.0

Ba Ba Hg Au
Ba Ba Hg Au 0 1 - o o 2 3 + o o 