data_VHgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.18
_cell_length_b   11.18
_cell_length_c   11.18
_cell_angle_alpha   17.28
_cell_angle_beta   17.28
_cell_angle_gamma   17.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgBi2
_chemical_formula_sum   'V1 Hg1 Bi2'
_cell_volume   107.66
_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  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.52  1.0
  Bi  Bi0  1  0.0  0.0  0.17  1.0
  Bi  Bi1  1  0.0  0.0  0.87  1.0

data_VHgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.82
_cell_length_b   3.36
_cell_length_c   11.18
_cell_angle_alpha   90.0
_cell_angle_beta   99.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VHgBi2
_chemical_formula_sum   'V2 Hg2 Bi4'
_cell_volume   215.33
_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  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.48  1.0
  Bi  Bi2  2  0.0  0.0  0.13  1.0
  Bi  Bi3  2  0.0  0.0  0.83  1.0

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