data_PdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.94
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSe2
_chemical_formula_sum   'Pd4 Se8'
_cell_volume   267.96
_cell_formula_units_Z   4
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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.91  0.97  0.0  1.0
  Pd  Pd2  1  0.91  0.0  0.87  1.0
  Pd  Pd3  1  0.0  0.97  0.87  1.0
  Se  Se4  1  0.56  0.7  0.73  1.0
  Se  Se5  1  0.17  0.68  0.73  1.0
  Se  Se6  1  0.65  0.7  0.14  1.0
  Se  Se7  1  0.26  0.68  0.14  1.0
  Se  Se8  1  0.56  0.27  0.6  1.0
  Se  Se9  1  0.17  0.24  0.6  1.0
  Se  Se10  1  0.65  0.27  0.01  1.0
  Se  Se11  1  0.26  0.24  0.01  1.0

data_PdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.94
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdSe2
_chemical_formula_sum   'Pd4 Se8'
_cell_volume   267.96
_cell_formula_units_Z   4
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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.97  0.87  1.0
  Pd  Pd2  1  0.91  0.0  0.87  1.0
  Pd  Pd3  1  0.91  0.97  -0.0  1.0
  Se  Se4  1  0.17  0.24  0.6  1.0
  Se  Se5  1  0.17  0.68  0.73  1.0
  Se  Se6  1  0.26  0.24  0.01  1.0
  Se  Se7  1  0.26  0.68  0.14  1.0
  Se  Se8  1  0.56  0.27  0.6  1.0
  Se  Se9  1  0.56  0.7  0.73  1.0
  Se  Se10  1  0.65  0.27  0.01  1.0
  Se  Se11  1  0.65  0.7  0.14  1.0

Pd Pd Pd Pd Se Se Se Se Se Se Se Se