data_VGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Hg
_chemical_formula_sum   'V1 Ga2 Hg1'
_cell_volume   71.74
_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  0.85  1.0
  Ga  Ga0  1  0.42  0.42  0.65  1.0
  Ga  Ga1  1  0.0  0.0  0.06  1.0
  Hg  Hg2  1  0.42  0.42  0.69  1.0

data_VGa2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VGa2Hg
_chemical_formula_sum   'V2 Ga4 Hg2'
_cell_volume   143.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.85  1.0
  Ga  Ga1  2  0.0  0.0  0.06  1.0
  Ga  Ga2  2  0.42  0.0  0.65  1.0
  Hg  Hg3  2  0.42  0.0  0.69  1.0

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