data_HgSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   155.62
_cell_angle_beta   143.95
_cell_angle_gamma   44.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2W
_chemical_formula_sum   'Hg1 Sb2 W1'
_cell_volume   98.41
_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  0.29  0.58  1.0
  Sb  Sb1  1  0.0  0.0  0.11  1.0
  Sb  Sb2  1  0.56  0.0  0.33  1.0
  W  W3  1  0.0  0.0  0.71  1.0

data_HgSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.58
_cell_length_c   7.41
_cell_angle_alpha   108.02
_cell_angle_beta   102.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgSb2W
_chemical_formula_sum   'Hg1 Sb2 W1'
_cell_volume   98.41
_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  0.42  0.71  0.71  1.0
  Sb  Sb1  1  0.23  0.67  0.23  1.0
  Sb  Sb2  1  0.89  0.89  0.89  1.0
  W  W3  1  0.29  0.29  0.29  1.0

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