data_[Na2Hf2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8592]
_cell_length_b [3.7988]
_cell_length_c [9.6000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHfPdSe3]
_chemical_formula_sum '[Na2 Hf2 Pd2 Se6]'
_cell_volume [274.4480]
_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  0.2257  0.2500  0.2725  1.0
  Hf  Hf1  2  0.3164  0.7500  0.8257  1.0
  Pd  Pd2  2  0.1155  0.2500  0.5870  1.0
  Se  Se3  2  0.0876  0.2500  0.8502  1.0
  Se  Se4  2  0.2993  0.7500  0.5442  1.0
  Se  Se5  2  0.4233  0.7500  0.1294  1.0
]