data_Hg2SbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SbW
_chemical_formula_sum   'Hg2 Sb1 W1'
_cell_volume   94.36
_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  0.0  0.0  0.41  1.0
  Hg  Hg1  1  0.71  0.0  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.03  1.0
  W  W3  1  0.71  0.0  0.84  1.0

data_Hg2SbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2SbW
_chemical_formula_sum   'Hg2 Sb1 W1'
_cell_volume   94.36
_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  0.0  0.0  0.41  1.0
  Hg  Hg1  1  0.71  0.0  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.03  1.0
  W  W3  1  0.71  0.0  0.84  1.0

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