data_LaPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPPd
_chemical_formula_sum   'La3 P3 Pd3'
_cell_volume   196.09
_cell_formula_units_Z   3
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
  La  La0  1  0.72  0.0  0.0  1.0
  La  La1  1  0.64  0.09  0.0  1.0
  La  La2  1  0.37  0.38  0.0  1.0
  P  P3  1  0.35  0.0  0.03  1.0
  P  P4  1  0.82  0.04  0.03  1.0
  P  P5  1  0.56  0.43  0.03  1.0
  Pd  Pd6  1  0.0  0.31  0.03  1.0
  Pd  Pd7  1  0.74  0.16  0.03  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0

data_LaPPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPPd
_chemical_formula_sum   'La3 P3 Pd3'
_cell_volume   196.09
_cell_formula_units_Z   3
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
  La  La0  1  0.0  0.72  0.0  1.0
  La  La1  1  0.0  0.64  0.09  1.0
  La  La2  1  0.0  0.37  0.38  1.0
  P  P3  1  0.03  0.35  0.0  1.0
  P  P4  1  0.03  0.56  0.43  1.0
  P  P5  1  0.03  0.82  0.04  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.03  0.0  0.31  1.0
  Pd  Pd8  1  0.03  0.74  0.16  1.0

La La La P P P Pd Pd Pd
La La La P P P Pd Pd Pd 0 4 o o o 1 7 o o o 1 3 o o o 2 5 o o o 4 6 + o o 4 8 + o o 6 7 - o o 