data_V2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.37
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgOs
_chemical_formula_sum   'V2 Hg1 Os1'
_cell_volume   63.11
_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  V2  1  0.42  0.18  0.96  1.0
  V  V3  1  0.03  0.0  0.25  1.0
  Hg  Hg0  1  0.73  0.18  0.43  1.0
  Os  Os1  1  0.49  0.0  0.21  1.0

data_V2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.37
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgOs
_chemical_formula_sum   'V2 Hg1 Os1'
_cell_volume   63.11
_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  0.03  0.0  0.25  1.0
  V  V1  1  0.42  0.18  0.96  1.0
  Hg  Hg2  1  0.73  0.18  0.43  1.0
  Os  Os3  1  0.49  0.0  0.21  1.0

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