data_V2HgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.94
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgB
_chemical_formula_sum   'V2 Hg1 B1'
_cell_volume   54.56
_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  0.08  0.47  0.58  1.0
  V  V3  1  0.07  0.47  0.15  1.0
  Hg  Hg1  1  0.69  0.0  0.37  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_V2HgB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.94
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   95.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgB
_chemical_formula_sum   'V2 Hg1 B1'
_cell_volume   54.56
_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  0.07  0.47  0.15  1.0
  V  V1  1  0.08  0.47  0.58  1.0
  Hg  Hg2  1  0.69  0.0  0.37  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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