data_KMgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   96.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPd2
_chemical_formula_sum   'K1 Mg1 Pd2'
_cell_volume   93.07
_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  0.03  0.24  0.11  1.0
  Mg  Mg1  1  0.26  0.0  0.97  1.0
  Pd  Pd2  1  0.83  0.24  0.43  1.0
  Pd  Pd3  1  0.58  0.0  0.35  1.0

data_KMgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.47
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   96.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMgPd2
_chemical_formula_sum   'K1 Mg1 Pd2'
_cell_volume   93.07
_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  0.03  0.24  0.11  1.0
  Mg  Mg1  1  0.26  0.0  0.97  1.0
  Pd  Pd2  1  0.58  0.0  0.35  1.0
  Pd  Pd3  1  0.83  0.24  0.43  1.0

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