data_VZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   143.13
_cell_angle_beta   131.62
_cell_angle_gamma   62.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnHg2
_chemical_formula_sum   'V1 Zn1 Hg2'
_cell_volume   77.14
_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  V2  1  0.0  0.0  0.89  1.0
  Zn  Zn3  1  0.0  0.29  0.27  1.0
  Hg  Hg0  1  0.0  0.0  0.46  1.0
  Hg  Hg1  1  0.77  0.0  0.48  1.0

data_VZnHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   4.57
_cell_length_c   5.58
_cell_angle_alpha   114.19
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnHg2
_chemical_formula_sum   'V1 Zn1 Hg2'
_cell_volume   77.14
_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  0.89  0.89  1.0
  Zn  Zn1  1  0.71  0.99  0.99  1.0
  Hg  Hg2  1  0.0  0.46  0.46  1.0
  Hg  Hg3  1  0.0  0.48  0.71  1.0

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