data_[K4Pd4Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6313]
_cell_length_b [7.8997]
_cell_length_c [8.0408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KPdSe]
_chemical_formula_sum '[K4 Pd4 Se4]'
_cell_volume [342.8072]
_cell_formula_units_Z [4]
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  4  0.3377  0.0646  0.1578  1.0
  Pd  Pd1  4  0.0361  0.6102  0.1390  1.0
  Se  Se2  4  0.1471  0.6733  0.8954  1.0
]