data_Ta2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.21
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2HgAu
_chemical_formula_sum   'Ta2 Hg1 Au1'
_cell_volume   73.73
_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
  Ta  Ta2  1  0.43  0.1  0.48  1.0
  Ta  Ta3  1  0.45  0.1  0.44  1.0
  Hg  Hg1  1  0.96  0.0  0.96  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Ta2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.21
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2HgAu
_chemical_formula_sum   'Ta2 Hg1 Au1'
_cell_volume   73.73
_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
  Ta  Ta0  1  0.43  0.1  0.48  1.0
  Ta  Ta1  1  0.45  0.1  0.44  1.0
  Hg  Hg2  1  0.96  0.0  0.96  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Ta Ta Hg Au
Ta Ta Hg Au 0 1 o o o 2 3 + o + 