data_VGeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.85
_cell_length_c   2.84
_cell_angle_alpha   79.92
_cell_angle_beta   79.27
_cell_angle_gamma   20.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGeCl
_chemical_formula_sum   'V1 Ge1 Cl1'
_cell_volume   61.05
_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  0.97  0.04  0.26  1.0
  Ge  Ge1  1  0.97  0.04  0.82  1.0
  Cl  Cl0  1  0.97  0.04  0.29  1.0

data_VGeCl
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.84
_cell_length_b   15.19
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   VGeCl
_chemical_formula_sum   'V2 Ge2 Cl2'
_cell_volume   122.16
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.3  1.0
  Ge  Ge1  2  0.0  0.5  0.86  1.0
  Cl  Cl2  2  0.0  0.5  0.33  1.0

V Ge Cl
V Ge Cl 0 2 o o o 0 1 o o - 1 2 o o o 1 2 o o + 