data_SnHg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.13
_cell_angle_alpha   101.92
_cell_angle_beta   101.92
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Au
_chemical_formula_sum   'Sn1 Hg2 Au1'
_cell_volume   94.74
_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
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.76  0.0  0.69  1.0
  Hg  Hg2  1  0.95  0.0  0.31  1.0
  Au  Au0  1  0.85  0.0  0.5  1.0

data_SnHg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.13
_cell_length_c   5.69
_cell_angle_alpha   101.92
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Au
_chemical_formula_sum   'Sn1 Hg2 Au1'
_cell_volume   94.74
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.31  0.95  1.0
  Hg  Hg2  1  0.0  0.69  0.76  1.0
  Au  Au3  1  0.0  0.5  0.85  1.0

Sn Hg Hg Au