data_V5Hg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   6.43
_cell_angle_alpha   96.09
_cell_angle_beta   96.09
_cell_angle_gamma   141.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Hg4
_chemical_formula_sum   'V5 Hg4'
_cell_volume   154.43
_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  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.05  0.05  0.0  1.0
  V  V6  1  0.76  0.24  0.09  1.0
  V  V7  1  0.24  0.76  0.09  1.0
  V  V8  1  0.24  0.24  0.09  1.0
  Hg  Hg0  1  0.0  0.76  0.0  1.0
  Hg  Hg1  1  0.0  0.83  0.0  1.0
  Hg  Hg2  1  0.76  0.0  0.0  1.0
  Hg  Hg3  1  0.83  0.0  0.0  1.0

data_V5Hg4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.18
_cell_length_b   12.15
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   109.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V5Hg4
_chemical_formula_sum   'V10 Hg8'
_cell_volume   308.87
_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  4  0.09  0.24  0.09  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  V  V2  2  0.35  0.5  0.09  1.0
  V  V3  2  0.45  0.5  -0.0  1.0
  Hg  Hg4  4  0.08  0.08  0.0  1.0
  Hg  Hg5  4  0.12  0.12  0.0  1.0

V V V V V Hg Hg Hg Hg