data_K2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   53.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdSe
_chemical_formula_sum   'K2 Pd1 Se1'
_cell_volume   129.17
_cell_formula_units_Z   1
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  1  0.36  0.0  0.05  1.0
  K  K1  1  0.0  0.0  0.2  1.0
  Pd  Pd2  1  0.36  0.0  0.19  1.0
  Se  Se3  1  0.0  0.0  0.5  1.0

data_K2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   5.23
_cell_length_c   5.86
_cell_angle_alpha   116.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdSe
_chemical_formula_sum   'K2 Pd1 Se1'
_cell_volume   129.17
_cell_formula_units_Z   1
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  1  0.0  0.2  0.2  1.0
  K  K1  1  0.64  0.05  0.05  1.0
  Pd  Pd2  1  0.64  0.19  0.19  1.0
  Se  Se3  1  0.0  0.5  0.5  1.0

K K Pd Se