data_[Na2Hf2Pd2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.6159]
_cell_length_b [3.6629]
_cell_length_c [9.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaHfPdS3]
_chemical_formula_sum '[Na2 Hf2 Pd2 S6]'
_cell_volume [245.9150]
_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  0.2207  0.2500  0.2624  1.0
  Hf  Hf1  2  0.3221  0.7500  0.8304  1.0
  Pd  Pd2  2  0.1266  0.2500  0.5829  1.0
  S  S3  2  0.0964  0.2500  0.8469  1.0
  S  S4  2  0.3036  0.7500  0.5476  1.0
  S  S5  2  0.4261  0.7500  0.1294  1.0
]