data_[K2Pd2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [6.3486]
_cell_length_b [4.3210]
_cell_length_c [6.3830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7257]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KPdS]
_chemical_formula_sum '[K2 Pd2 S2]'
_cell_volume [167.6935]
_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  0.1819  0.7500  0.7857  1.0
  Pd  Pd1  2  0.3828  0.2500  0.4040  1.0
  S  S2  2  0.2543  0.7500  0.2994  1.0
]