data_HgSb2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.28
_cell_angle_alpha   107.71
_cell_angle_beta   107.71
_cell_angle_gamma   56.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Au
_chemical_formula_sum   'Hg1 Sb2 Au1'
_cell_volume   105.5
_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  0.02  0.0  0.87  1.0
  Sb  Sb2  1  0.58  0.0  0.72  1.0
  Sb  Sb3  1  0.96  0.0  1.0  1.0
  Au  Au0  1  0.49  0.0  0.5  1.0

data_HgSb2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.3
_cell_length_c   7.24
_cell_angle_alpha   73.31
_cell_angle_beta   73.62
_cell_angle_gamma   61.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2Au
_chemical_formula_sum   'Hg1 Sb2 Au1'
_cell_volume   105.5
_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  0.0  0.15  0.87  1.0
  Sb  Sb1  1  0.0  0.86  0.72  1.0
  Sb  Sb2  1  0.0  0.96  1.0  1.0
  Au  Au3  1  0.0  0.99  0.5  1.0

Hg Sb Sb Au