data_VHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   156.61
_cell_angle_beta   142.35
_cell_angle_gamma   44.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Pb
_chemical_formula_sum   'V1 Hg2 Pb1'
_cell_volume   98.42
_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  0.34  1.0
  Hg  Hg0  1  0.0  0.39  0.86  1.0
  Hg  Hg1  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.0  0.39  0.95  1.0

data_VHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.78
_cell_length_c   7.41
_cell_angle_alpha   108.82
_cell_angle_beta   101.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Pb
_chemical_formula_sum   'V1 Hg2 Pb1'
_cell_volume   98.42
_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  0.66  0.66  0.66  1.0
  Hg  Hg1  1  0.14  0.53  0.53  1.0
  Hg  Hg2  1  0.6  0.6  0.6  1.0
  Pb  Pb3  1  0.05  0.44  0.44  1.0

V Hg Hg Pb
V Hg Hg Pb 0 2 o o o 1 3 o o o 