data_K2LaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   6.7
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   95.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaPd
_chemical_formula_sum   'K2 La1 Pd1'
_cell_volume   139.36
_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  0.61  0.35  0.61  1.0
  K  K1  1  0.42  0.35  0.01  1.0
  La  La2  1  0.02  0.0  0.31  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_K2LaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.64
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaPd
_chemical_formula_sum   'K2 La1 Pd1'
_cell_volume   139.36
_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  0.39  0.39  0.65  1.0
  K  K1  1  0.58  0.99  0.65  1.0
  La  La2  1  0.98  0.69  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

K K La Pd
K K La Pd 0 1 o o + 2 3 o o o 