data_[K2Fe2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  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 [7.8688]
_cell_length_b [3.5476]
_cell_length_c [9.1775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KFePdS3]
_chemical_formula_sum '[K2 Fe2 Pd2 S6]'
_cell_volume [240.7642]
_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
[
  K  K0  2  0.2740  0.2500  0.7422  1
  Fe  Fe1  2  0.1716  0.7500  0.1521  1
  Pd  Pd2  2  0.3868  0.2500  0.4042  1
  S  S3  2  0.0317  0.7500  0.8837  1
  S  S4  2  0.1989  0.7500  0.4064  1
  S  S5  2  0.3555  0.2500  0.1310  1
]