data_VSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   5.05
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Hg
_chemical_formula_sum   'V1 Sn2 Hg1'
_cell_volume   87.53
_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
  Sn  Sn1  1  0.58  0.53  0.0  1.0
  Sn  Sn2  1  0.0  0.53  0.74  1.0
  Hg  Hg0  1  0.58  0.0  0.74  1.0

data_VSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.05
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2Hg
_chemical_formula_sum   'V1 Sn2 Hg1'
_cell_volume   87.53
_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
  Sn  Sn1  1  0.0  0.53  0.74  1.0
  Sn  Sn2  1  0.58  0.53  0.0  1.0
  Hg  Hg3  1  0.58  0.0  0.74  1.0

V Sn Sn Hg
V Sn Sn Hg 0 3 - o - 0 3 o o - 1 2 o o - 1 2 + o - 