data_V2HgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.87
_cell_angle_alpha   109.25
_cell_angle_beta   109.25
_cell_angle_gamma   33.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgBi
_chemical_formula_sum   'V2 Hg1 Bi1'
_cell_volume   78.03
_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  0.37  0.0  0.04  1.0
  V  V3  1  0.28  0.0  0.11  1.0
  Hg  Hg1  1  0.49  0.0  0.6  1.0
  Bi  Bi0  1  0.36  0.0  0.1  1.0

data_V2HgBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.87
_cell_length_c   5.57
_cell_angle_alpha   109.25
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2HgBi
_chemical_formula_sum   'V2 Hg1 Bi1'
_cell_volume   78.03
_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  0.04  0.37  1.0
  V  V1  1  0.0  0.11  0.28  1.0
  Hg  Hg2  1  0.0  0.6  0.49  1.0
  Bi  Bi3  1  0.0  0.1  0.36  1.0

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