data_Sn2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   142.75
_cell_angle_beta   132.97
_cell_angle_gamma   61.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgSb
_chemical_formula_sum   'Sn2 Hg1 Sb1'
_cell_volume   110.49
_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  0.0  0.52  0.21  1.0
  Sn  Sn3  1  0.0  0.0  0.69  1.0
  Hg  Hg0  1  0.0  0.52  0.1  1.0
  Sb  Sb1  1  0.0  0.0  0.28  1.0

data_Sn2HgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.04
_cell_length_c   6.32
_cell_angle_alpha   113.52
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgSb
_chemical_formula_sum   'Sn2 Hg1 Sb1'
_cell_volume   110.49
_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  0.31  0.31  0.31  1.0
  Sn  Sn1  1  0.79  0.31  0.31  1.0
  Hg  Hg2  1  0.9  0.42  0.42  1.0
  Sb  Sb3  1  0.72  0.72  0.72  1.0

Sn Sn Hg Sb