data_[Na4Pd2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2357]
_cell_length_b [4.2767]
_cell_length_c [18.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na2PdSe2]
_chemical_formula_sum '[Na4 Pd2 Se4]'
_cell_volume [795.0986]
_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
[
  Na  Na0  2  0.0763  0.0000  0.5858  1
  Na  Na1  2  0.3785  0.0000  0.4634  1
  Pd  Pd2  2  0.1629  0.5000  0.4609  1
  Se  Se3  2  0.1016  0.0000  0.4117  1
  Se  Se4  2  0.2768  0.5000  0.5781  1
]