data_HgSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   145.69
_cell_angle_beta   145.12
_cell_angle_gamma   49.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Au
_chemical_formula_sum   'Hg1 Sb2 Au1'
_cell_volume   106.45
_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  0.0  0.07  0.75  1.0
  Sb  Sb2  1  0.0  0.0  0.52  1.0
  Sb  Sb3  1  0.04  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.55  1.0

data_HgSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.15
_cell_length_c   6.92
_cell_angle_alpha   107.44
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Au
_chemical_formula_sum   'Hg1 Sb2 Au1'
_cell_volume   106.45
_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  0.25  0.33  0.33  1.0
  Sb  Sb1  1  0.48  0.48  0.48  1.0
  Sb  Sb2  1  0.73  0.69  0.73  1.0
  Au  Au3  1  0.45  0.45  0.45  1.0

Hg Sb Sb Au