data_[Na1U2Pd1S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  U  1.3800  1.7500  0.9913
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.5476]
_cell_length_b [5.5476]
_cell_length_c [7.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [NaU2PdS6]
_chemical_formula_sum '[Na1 U2 Pd1 S6]'
_cell_volume [219.1641]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5034  1
  U  U1  2  0.0000  0.5000  0.0232  1
  Pd  Pd2  1  0.0000  0.0000  0.5165  1
  S  S3  4  0.2439  0.2439  0.7648  1
  S  S4  1  0.0000  0.0000  0.1801  1
  S  S5  1  0.5000  0.5000  0.1413  1
]