data_SnHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Cl
_chemical_formula_sum   'Sn1 Hg2 Cl1'
_cell_volume   111.58
_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  0.22  1.0
  Hg  Hg1  1  0.12  0.0  0.06  1.0
  Hg  Hg2  1  0.12  0.0  0.39  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SnHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnHg2Cl
_chemical_formula_sum   'Sn1 Hg2 Cl1'
_cell_volume   111.58
_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  0.22  1.0
  Hg  Hg1  1  0.12  0.0  0.06  1.0
  Hg  Hg2  1  0.12  0.0  0.39  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sn Hg Hg Cl
Sn Hg Hg Cl 0 1 o o o 0 2 o o o 1 3 o o o 