data_Pd2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.49
_cell_length_c   8.11
_cell_angle_alpha   52.93
_cell_angle_beta   50.98
_cell_angle_gamma   76.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Se3
_chemical_formula_sum   'Pd4 Se6'
_cell_volume   212.08
_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  0.08  0.28  0.76  1.0
  Pd  Pd1  1  0.18  0.39  0.76  1.0
  Pd  Pd2  1  0.9  0.31  0.38  1.0
  Pd  Pd3  1  0.0  0.2  0.38  1.0
  Se  Se4  1  0.15  0.81  0.03  1.0
  Se  Se5  1  0.12  0.86  0.03  1.0
  Se  Se6  1  0.96  0.78  0.64  1.0
  Se  Se7  1  0.94  0.73  0.64  1.0
  Se  Se8  1  0.63  0.84  0.76  1.0
  Se  Se9  1  0.82  0.92  0.93  1.0

data_Pd2Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.45
_cell_length_b   6.49
_cell_length_c   6.67
_cell_angle_alpha   76.09
_cell_angle_beta   61.07
_cell_angle_gamma   60.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2Se3
_chemical_formula_sum   'Pd4 Se6'
_cell_volume   212.08
_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  0.24  0.04  0.85  1.0
  Pd  Pd1  1  0.24  0.15  0.95  1.0
  Pd  Pd2  1  0.62  0.57  0.38  1.0
  Pd  Pd3  1  0.62  0.68  0.28  1.0
  Se  Se4  1  0.07  0.84  0.74  1.0
  Se  Se5  1  0.24  0.6  0.4  1.0
  Se  Se6  1  0.36  0.37  0.58  1.0
  Se  Se7  1  0.36  0.42  0.61  1.0
  Se  Se8  1  0.97  0.84  0.18  1.0
  Se  Se9  1  0.97  0.89  0.15  1.0

Pd Pd Pd Pd Se Se Se Se Se Se
Pd Pd Pd Pd Se Se Se Se Se Se 0 1 o o o 0 9 - - o 2 3 + o o 4 5 o o o 4 9 - o - 5 9 - o - 6 7 o o o 6 8 o o o 6 9 o o o 7 8 o o o 7 9 o o o 8 9 o o o 