data_KBaPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   7.3
_cell_angle_alpha   124.38
_cell_angle_beta   124.38
_cell_angle_gamma   45.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaPd2
_chemical_formula_sum   'K1 Ba1 Pd2'
_cell_volume   146.05
_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  K1  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.24  0.0  0.88  1.0
  Pd  Pd2  1  0.41  0.0  0.38  1.0
  Pd  Pd3  1  0.06  0.0  0.38  1.0

data_KBaPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.63
_cell_length_b   5.94
_cell_length_c   6.29
_cell_angle_alpha   73.16
_cell_angle_beta   68.41
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaPd2
_chemical_formula_sum   'K1 Ba1 Pd2'
_cell_volume   146.05
_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
  Ba  Ba1  1  0.0  0.36  0.88  1.0
  Pd  Pd2  1  0.0  0.03  0.38  1.0
  Pd  Pd3  1  0.0  0.68  0.38  1.0

K Ba Pd Pd
K Ba Pd Pd 0 1 o o - 0 2 o o o 2 3 o o o 