data_VHg2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHg2Te
_chemical_formula_sum   'V1 Hg2 Te1'
_cell_volume   97.21
_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  Hg0  1  0.38  0.21  0.99  1.0
  Hg  Hg1  1  0.38  0.79  0.99  1.0
  Te  Te2  1  0.76  0.0  0.0  1.0

data_VHg2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.21
_cell_length_b   3.98
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   116.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VHg2Te
_chemical_formula_sum   'V1 Hg2 Te1'
_cell_volume   97.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.38  0.0  0.21  1.0
  Hg  Hg2  1  0.38  0.0  0.79  1.0
  Te  Te3  1  0.76  0.0  0.0  1.0

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