data_KMnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   7.19
_cell_angle_alpha   95.83
_cell_angle_beta   95.83
_cell_angle_gamma   39.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnPd2
_chemical_formula_sum   'K1 Mn1 Pd2'
_cell_volume   89.25
_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
  Mn  Mn1  1  0.78  0.0  0.57  1.0
  Pd  Pd2  1  0.42  0.0  0.74  1.0
  Pd  Pd3  1  0.15  0.0  0.41  1.0

data_KMnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.43
_cell_length_c   7.19
_cell_angle_alpha   95.83
_cell_angle_beta   90.0
_cell_angle_gamma   109.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnPd2
_chemical_formula_sum   'K1 Mn1 Pd2'
_cell_volume   89.25
_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
  Mn  Mn1  1  0.0  0.22  0.43  1.0
  Pd  Pd2  1  0.0  0.58  0.26  1.0
  Pd  Pd3  1  0.0  0.85  0.59  1.0

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