data_VSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSeCl2
_chemical_formula_sum   'V1 Se1 Cl2'
_cell_volume   74.49
_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
  Se  Se2  1  0.96  0.0  0.0  1.0
  Cl  Cl0  1  0.48  0.08  0.51  1.0
  Cl  Cl1  1  0.48  0.92  0.51  1.0

data_VSeCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.11
_cell_length_b   3.02
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   109.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VSeCl2
_chemical_formula_sum   'V1 Se1 Cl2'
_cell_volume   74.49
_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
  Se  Se1  1  0.96  0.0  0.0  1.0
  Cl  Cl2  1  0.48  0.5  0.08  1.0
  Cl  Cl3  1  0.48  0.5  0.92  1.0

V Se Cl Cl