data_Sn(HgW)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   7.97
_cell_angle_alpha   152.52
_cell_angle_beta   152.52
_cell_angle_gamma   39.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn(HgW)2
_chemical_formula_sum   'Sn1 Hg2 W2'
_cell_volume   107.73
_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  0.0  0.0  1.0
  Hg  Hg0  1  0.0  0.0  0.04  1.0
  Hg  Hg1  1  0.0  0.0  0.98  1.0
  W  W3  1  0.0  0.89  0.76  1.0
  W  W4  1  0.89  0.0  0.76  1.0

data_Sn(HgW)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   109.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn(HgW)2
_chemical_formula_sum   'Sn2 Hg4 W4'
_cell_volume   215.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.04  0.0  0.04  1.0
  Hg  Hg2  2  0.48  0.5  0.98  1.0
  W  W3  4  0.31  0.45  0.86  1.0

Sn Hg Hg W W
Sn Hg Hg W W 0 2 o o - 0 1 o o o 3 4 - + o 