data_[P2Pd8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9228]
_cell_length_b [5.5058]
_cell_length_c [5.4836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PPd4Se]
_chemical_formula_sum '[P2 Pd8 Se2]'
_cell_volume [208.0639]
_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
[
  P  P0  2  0.5000  0.0000  0.5000  1
  Pd  Pd1  4  0.2593  0.6768  0.2316  1
  Pd  Pd2  4  0.3386  0.1663  0.1359  1
  Se  Se3  2  0.0000  0.0000  0.0000  1
]