data_Hg2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2OsAu
_chemical_formula_sum   'Hg2 Os1 Au1'
_cell_volume   74.4
_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  Hg1  1  0.5  0.92  0.48  1.0
  Hg  Hg2  1  0.5  0.08  0.48  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.01  0.0  0.0  1.0

data_Hg2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   108.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2OsAu
_chemical_formula_sum   'Hg2 Os1 Au1'
_cell_volume   74.4
_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  0.48  0.5  0.08  1.0
  Hg  Hg1  1  0.48  0.5  0.92  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.01  0.0  1.0

Hg Hg Os Au