data_[Na4Ti4Pd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.1880]
_cell_length_b [3.6788]
_cell_length_c [10.2924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaTiPdSe3]
_chemical_formula_sum '[Na4 Ti4 Pd4 Se12]'
_cell_volume [499.3524]
_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
[
  Na  Na0  4  0.2274  0.7500  0.4395  1
  Ti  Ti1  4  0.0137  0.7500  0.1765  1
  Pd  Pd2  4  0.0043  0.2500  0.3977  1
  Se  Se3  4  0.0960  0.7500  0.9399  1
  Se  Se4  4  0.1171  0.2500  0.6430  1
  Se  Se5  4  0.1446  0.2500  0.2276  1
]