data_VHgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   142.24
_cell_angle_beta   142.24
_cell_angle_gamma   54.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgBr2
_chemical_formula_sum   'V1 Hg1 Br2'
_cell_volume   99.48
_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  0.08  0.86  1.0
  Br  Br0  1  0.08  0.0  0.86  1.0
  Br  Br1  1  0.0  0.0  0.73  1.0

data_VHgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   6.44
_cell_angle_alpha   108.88
_cell_angle_beta   108.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgBr2
_chemical_formula_sum   'V1 Hg1 Br2'
_cell_volume   99.48
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.78  0.86  0.78  1.0
  Br  Br2  1  0.73  0.73  0.73  1.0
  Br  Br3  1  0.86  0.78  0.78  1.0

V Hg Br Br