data_[Pd8Ru4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.0165]
_cell_length_b [10.6498]
_cell_length_c [5.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pd2RuSe2]
_chemical_formula_sum '[Pd8 Ru4 Se8]'
_cell_volume [347.5596]
_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  8  0.1150  0.3885  0.0000  1.0
  Ru  Ru1  4  0.0000  0.0000  0.2500  1.0
  Se  Se2  8  0.2098  0.1499  0.0000  1.0
]