data_PdSeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   6.41
_cell_length_c   26.26
_cell_angle_alpha   90.0
_cell_angle_beta   96.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSeO3
_chemical_formula_sum   'Pd2 Se2 O6'
_cell_volume   660.13
_cell_formula_units_Z   2
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
  Pd  Pd0  1  0.5  0.0  0.12  1.0
  Pd  Pd1  1  0.5  0.5  0.12  1.0
  Se  Se2  1  0.95  0.25  0.04  1.0
  Se  Se3  1  0.05  0.75  0.2  1.0
  O  O4  1  0.21  0.04  0.05  1.0
  O  O5  1  0.21  0.46  0.05  1.0
  O  O6  1  0.79  0.25  0.1  1.0
  O  O7  1  0.21  0.75  0.13  1.0
  O  O8  1  0.79  0.96  0.19  1.0
  O  O9  1  0.79  0.54  0.19  1.0

Pd Pd Se Se O O O O O O 0 7 o - o 0 4 o o o 0 8 o - o 0 6 o o o 1 5 o o o 1 7 o o o 1 6 o o o 1 9 o o o 2 6 o o o 2 4 + o o 2 5 + o o 3 9 - o o 3 8 - o o 3 7 o o o 
data_PdSeO3
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   3.94
_cell_length_b   6.41
_cell_length_c   26.14
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   PdSeO3
_chemical_formula_sum   'Pd2 Se2 O6'
_cell_volume   660.13
_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+1/2, -z'
  4  'x, -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
  Pd  Pd0  2  0.5  0.0  0.0  1.0
  Se  Se1  2  0.03  0.25  0.08  1.0
  O  O2  4  0.28  0.04  0.07  1.0
  O  O3  2  0.2  0.75  0.99  1.0
