data_VHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   8.88
_cell_length_c   8.88
_cell_angle_alpha   24.58
_cell_angle_beta   24.58
_cell_angle_gamma   24.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgBr2
_chemical_formula_sum   'V1 Hg1 Br2'
_cell_volume   106.6
_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  0.46  1.0
  Hg  Hg2  1  0.0  0.0  0.15  1.0
  Br  Br0  1  0.0  0.0  0.06  1.0
  Br  Br1  1  0.0  0.0  0.89  1.0

data_VHgBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.55
_cell_length_b   3.78
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VHgBr2
_chemical_formula_sum   'V2 Hg2 Br4'
_cell_volume   213.21
_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  0.54  1.0
  Hg  Hg1  2  0.0  0.0  0.85  1.0
  Br  Br2  2  0.0  0.0  0.11  1.0
  Br  Br3  2  0.0  0.0  0.94  1.0

V Hg Br Br