data_Hg2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.51
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   92.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiAu
_chemical_formula_sum   'Hg2 Bi1 Au1'
_cell_volume   102.77
_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
  Hg  Hg2  1  0.99  0.76  0.12  1.0
  Hg  Hg3  1  0.76  0.76  0.57  1.0
  Bi  Bi1  1  0.88  0.0  0.35  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Hg2BiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   4.7
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2BiAu
_chemical_formula_sum   'Hg2 Bi1 Au1'
_cell_volume   102.77
_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
  Hg  Hg0  1  0.01  0.88  0.24  1.0
  Hg  Hg1  1  0.24  0.43  0.24  1.0
  Bi  Bi2  1  0.12  0.65  0.0  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Hg Hg Bi Au