data_KPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.9
_cell_angle_alpha   105.53
_cell_angle_beta   105.53
_cell_angle_gamma   48.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Se
_chemical_formula_sum   'K1 Pd2 Se1'
_cell_volume   101.48
_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  0.84  0.0  0.23  1.0
  Pd  Pd1  1  0.12  0.0  0.97  1.0
  Pd  Pd2  1  0.32  0.0  0.4  1.0
  Se  Se3  1  0.54  0.0  0.85  1.0

data_KPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.9
_cell_length_c   5.9
_cell_angle_alpha   105.53
_cell_angle_beta   90.0
_cell_angle_gamma   114.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Se
_chemical_formula_sum   'K1 Pd2 Se1'
_cell_volume   101.48
_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  0.16  0.77  1.0
  Pd  Pd1  1  0.0  0.68  0.6  1.0
  Pd  Pd2  1  0.0  0.88  0.03  1.0
  Se  Se3  1  0.0  0.46  0.15  1.0

K Pd Pd Se