data_VPdSO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPdSO2
_chemical_formula_sum   'V1 Pd1 S1 O2'
_cell_volume   73.74
_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  V1  1  0.57  0.5  0.5  1.0
  Pd  Pd0  1  0.05  0.0  0.0  1.0
  S  S2  1  0.34  0.0  0.5  1.0
  O  O3  1  0.56  0.5  0.0  1.0
  O  O4  1  0.98  0.5  0.5  1.0

data_VPdSO2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   VPdSO2
_chemical_formula_sum   'V1 Pd1 S1 O2'
_cell_volume   73.74
_cell_formula_units_Z   1
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'
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  0.5  0.5  0.57  1.0
  Pd  Pd1  1  0.0  0.0  0.05  1.0
  S  S2  1  0.0  0.5  0.34  1.0
  O  O3  1  0.5  0.0  0.56  1.0
  O  O4  1  0.5  0.5  0.98  1.0

V Pd S O O