data_VSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSiCl2
_chemical_formula_sum   'V1 Si1 Cl2'
_cell_volume   96.12
_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  0.4  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.59  0.0  0.14  1.0
  Cl  Cl1  1  0.59  0.0  0.65  1.0

data_VSiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.22
_cell_length_b   5.54
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VSiCl2
_chemical_formula_sum   'V2 Si2 Cl4'
_cell_volume   192.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.6  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.41  0.0  0.35  1.0
  Cl  Cl3  2  0.41  0.0  0.86  1.0

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