data_[Pd2Se12Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.6763]
_cell_length_b [8.9466]
_cell_length_c [8.9598]
_cell_angle_alpha [112.9664]
_cell_angle_beta [98.9992]
_cell_angle_gamma [110.9320]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd(Se2Cl)3]
_chemical_formula_sum '[Pd2 Se12 Cl6]'
_cell_volume [561.5996]
_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  0.0000  0.0000  0.0000  1
  Pd  Pd1  1  0.5000  0.5000  0.5000  1
  Se  Se2  2  0.0667  0.3209  0.1915  1
  Se  Se3  2  0.1516  0.0644  0.4027  1
  Se  Se4  2  0.1868  0.3732  0.5108  1
  Se  Se5  2  0.3217  0.1119  0.0620  1
  Se  Se6  2  0.3692  0.4420  0.1936  1
  Se  Se7  2  0.4380  0.1638  0.3643  1
  Cl  Cl8  2  0.2360  0.7426  0.6663  1
  Cl  Cl9  2  0.2671  0.4342  0.8157  1
  Cl  Cl10  2  0.3856  0.7610  0.3058  1
]