data_[K2Ti2Pd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ti  1.5400  1.4000  0.8517
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5022]
_cell_length_b [3.7624]
_cell_length_c [9.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiPdSe3]
_chemical_formula_sum '[K2 Ti2 Pd2 Se6]'
_cell_volume [291.5286]
_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  0.2323  0.2500  0.2613  1.0
  Ti  Ti1  2  0.3091  0.7500  0.8345  1.0
  Pd  Pd2  2  0.0989  0.2500  0.5998  1.0
  Se  Se3  2  0.1177  0.2500  0.8662  1.0
  Se  Se4  2  0.2700  0.7500  0.5654  1.0
  Se  Se5  2  0.4588  0.7500  0.1288  1.0
]