data_[Na4Ir4Pd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2809]
_cell_length_b [10.9307]
_cell_length_c [6.7526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ir2PdS6]
_chemical_formula_sum '[Na4 Ir4 Pd2 S12]'
_cell_volume [441.4150]
_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  4  0.0000  0.1631  0.0000  1.0
  Ir  Ir1  4  0.0000  0.3326  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2286  0.1690  0.6842  1.0
  S  S4  4  0.2244  0.5000  0.6853  1.0
]