data_HgSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   151.86
_cell_angle_beta   134.89
_cell_angle_gamma   54.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbW2
_chemical_formula_sum   'Hg1 Sb1 W2'
_cell_volume   83.34
_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
  Hg  Hg0  1  0.53  0.0  0.62  1.0
  Sb  Sb1  1  0.0  0.0  0.82  1.0
  W  W2  1  0.53  0.0  0.22  1.0
  W  W3  1  0.0  0.0  0.2  1.0

data_HgSbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.84
_cell_length_c   6.31
_cell_angle_alpha   112.56
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSbW2
_chemical_formula_sum   'Hg1 Sb1 W2'
_cell_volume   83.34
_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
  Hg  Hg0  1  0.92  0.38  0.92  1.0
  Sb  Sb1  1  0.18  0.18  0.18  1.0
  W  W2  1  0.31  0.78  0.31  1.0
  W  W3  1  0.8  0.8  0.8  1.0

Hg Sb W W
Hg Sb W W 0 3 o o o 0 3 + o + 0 1 + o o 0 2 o o o 1 2 - o o 1 2 o o + 1 3 o o + 