data_KGe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   151.66
_cell_angle_beta   124.65
_cell_angle_gamma   63.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Pd
_chemical_formula_sum   'K1 Ge2 Pd1'
_cell_volume   87.44
_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  K2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.83  0.11  1.0
  Ge  Ge1  1  0.49  0.0  0.07  1.0
  Pd  Pd3  1  0.0  0.0  0.18  1.0

data_KGe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.66
_cell_length_c   6.09
_cell_angle_alpha   117.67
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGe2Pd
_chemical_formula_sum   'K1 Ge2 Pd1'
_cell_volume   87.44
_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  0.0  1.0
  Ge  Ge1  1  0.42  0.93  0.42  1.0
  Ge  Ge2  1  0.89  0.72  0.72  1.0
  Pd  Pd3  1  0.82  0.82  0.82  1.0

K Ge Ge Pd
K Ge Ge Pd 0 3 o o o 0 2 o o o 0 2 - o o 1 3 o + o 1 2 - + o 1 2 - o - 2 2 o + + 2 3 + o o 