data_Sn2HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   5.15
_cell_angle_alpha   110.01
_cell_angle_beta   110.01
_cell_angle_gamma   28.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgBr
_chemical_formula_sum   'Sn2 Hg1 Br1'
_cell_volume   114.14
_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  Sn2  1  0.86  0.0  0.67  1.0
  Sn  Sn3  1  0.41  0.0  0.87  1.0
  Hg  Hg1  1  0.42  0.0  0.21  1.0
  Br  Br0  1  0.9  0.0  0.31  1.0

data_Sn2HgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.15
_cell_length_c   7.05
_cell_angle_alpha   110.01
_cell_angle_beta   104.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgBr
_chemical_formula_sum   'Sn2 Hg1 Br1'
_cell_volume   114.14
_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  0.67  0.86  1.0
  Sn  Sn1  1  0.0  0.87  0.41  1.0
  Hg  Hg2  1  0.0  0.21  0.42  1.0
  Br  Br3  1  0.0  0.31  0.9  1.0

Sn Sn Hg Br