data_VHgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSe
_chemical_formula_sum   'V1 Hg1 Se1'
_cell_volume   63.81
_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  0.48  1.0
  Hg  Hg0  1  0.13  0.23  0.0  1.0
  Se  Se1  1  0.0  0.45  0.67  1.0

data_VHgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSe
_chemical_formula_sum   'V1 Hg1 Se1'
_cell_volume   63.81
_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  0.48  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.13  0.23  1.0
  Se  Se2  1  0.67  0.0  0.45  1.0

V Hg Se
V Hg Se 0 2 o o o 0 2 o - o 0 1 o o o 0 1 o o + 1 2 o o - 