data_VSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   6.55
_cell_angle_alpha   153.29
_cell_angle_beta   134.13
_cell_angle_gamma   53.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSeCl2
_chemical_formula_sum   'V1 Se1 Cl2'
_cell_volume   90.17
_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
  Se  Se2  1  0.0  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.55  0.99  1.0
  Cl  Cl1  1  0.51  0.0  0.84  1.0

data_VSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.1
_cell_length_c   6.55
_cell_angle_alpha   112.93
_cell_angle_beta   103.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSeCl2
_chemical_formula_sum   'V1 Se1 Cl2'
_cell_volume   90.17
_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
  Se  Se1  1  0.16  0.16  0.16  1.0
  Cl  Cl2  1  0.01  0.56  0.56  1.0
  Cl  Cl3  1  0.67  0.16  0.67  1.0

V Se Cl Cl
V Se Cl Cl 0 1 o o - 0 2 o - - 0 3 - o - 1 2 o - - 1 2 o o o 1 3 o o o 1 3 - o o 2 3 - o - 2 3 - + o 2 3 o o o 2 3 o + + 2 2 o + + 3 3 o + + 