data_KSr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   9.68
_cell_length_c   9.68
_cell_angle_alpha   26.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Pd
_chemical_formula_sum   'K1 Sr2 Pd1'
_cell_volume   177.78
_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  0.0  0.01  1.0
  Sr  Sr2  1  0.0  0.0  0.25  1.0
  Sr  Sr3  1  0.11  0.0  0.95  1.0
  Pd  Pd1  1  0.11  0.0  0.99  1.0

data_KSr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.48
_cell_length_c   9.68
_cell_angle_alpha   103.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSr2Pd
_chemical_formula_sum   'K1 Sr2 Pd1'
_cell_volume   177.78
_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  0.01  0.01  1.0
  Sr  Sr1  1  0.0  0.25  0.25  1.0
  Sr  Sr2  1  0.89  0.95  0.95  1.0
  Pd  Pd3  1  0.89  0.99  0.99  1.0

K Sr Sr Pd