data_VHgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   150.33
_cell_angle_beta   150.33
_cell_angle_gamma   42.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSe2
_chemical_formula_sum   'V1 Hg1 Se2'
_cell_volume   97.17
_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  0.88  0.0  0.43  1.0
  Se  Se1  1  0.0  0.0  0.85  1.0
  Se  Se2  1  0.0  0.88  0.43  1.0

data_VHgSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.35
_cell_angle_alpha   104.83
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgSe2
_chemical_formula_sum   'V1 Hg1 Se2'
_cell_volume   97.17
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.43  0.54  0.54  1.0
  Se  Se2  1  0.54  0.43  0.54  1.0
  Se  Se3  1  0.85  0.85  0.85  1.0

V Hg Se Se