data_[K2Sc2Pd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  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 [8.4311]
_cell_length_b [3.7947]
_cell_length_c [9.3409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScPdS3]
_chemical_formula_sum '[K2 Sc2 Pd2 S6]'
_cell_volume [283.0409]
_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  0.2026  0.7500  0.7344  1
  Sc  Sc1  2  0.3405  0.2500  0.3560  1
  Pd  Pd2  2  0.1037  0.7500  0.0831  1
  S  S3  2  0.1256  0.7500  0.3478  1
  S  S4  2  0.2510  0.2500  0.0556  1
  S  S5  2  0.4499  0.2500  0.6441  1
]