data_VHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSb2
_chemical_formula_sum   'V1 Hg1 Sb2'
_cell_volume   92.39
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.16  0.0  0.0  1.0
  Sb  Sb1  1  0.58  0.91  0.75  1.0
  Sb  Sb2  1  0.58  0.09  0.75  1.0

data_VHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   105.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSb2
_chemical_formula_sum   'V1 Hg1 Sb2'
_cell_volume   92.39
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.16  0.0  1.0
  Sb  Sb2  1  0.75  0.58  0.09  1.0
  Sb  Sb3  1  0.75  0.58  0.91  1.0

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