data_K2LaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   12.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaPd
_chemical_formula_sum   'K2 La1 Pd1'
_cell_volume   145.04
_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  0.06  0.0  0.32  1.0
  K  K1  1  0.06  0.0  0.99  1.0
  La  La2  1  0.0  0.0  0.16  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   3.52
_cell_length_b   3.52
_cell_length_c   12.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LaPd
_chemical_formula_sum   'K2 La1 Pd1'
_cell_volume   145.04
_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  0.06  0.0  0.32  1.0
  K  K1  1  0.06  0.0  0.99  1.0
  La  La2  1  0.0  0.0  0.16  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

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