data_VGaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaHg
_chemical_formula_sum   'V1 Ga1 Hg1'
_cell_volume   53.13
_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  0.0  0.0  0.78  1.0
  Ga  Ga0  1  1.0  0.71  0.84  1.0
  Hg  Hg1  1  0.48  0.85  0.43  1.0

data_VGaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGaHg
_chemical_formula_sum   'V1 Ga1 Hg1'
_cell_volume   53.13
_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  0.78  1.0
  Ga  Ga1  1  1.0  0.71  0.84  1.0
  Hg  Hg2  1  0.48  0.85  0.43  1.0

V Ga Hg
V Ga Hg 0 1 - - o 0 2 o o o 0 2 o - o 0 2 - - o 1 2 + o o 1 2 o o o 2 2 + + o 2 2 o + o 2 2 + o o 