data_LaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.53
_cell_angle_alpha   117.47
_cell_angle_beta   117.47
_cell_angle_gamma   34.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd
_chemical_formula_sum   'La3 Pd3'
_cell_volume   155.89
_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  0.8  0.0  0.51  1.0
  La  La1  1  0.28  0.0  0.26  1.0
  La  La2  1  0.99  0.0  0.16  1.0
  Pd  Pd3  1  0.23  0.0  0.3  1.0
  Pd  Pd4  1  0.9  0.0  0.75  1.0
  Pd  Pd5  1  0.76  0.0  0.41  1.0

data_LaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   6.53
_cell_length_c   6.94
_cell_angle_alpha   117.47
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPd
_chemical_formula_sum   'La3 Pd3'
_cell_volume   155.89
_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  0.16  0.99  1.0
  La  La1  1  0.0  0.26  0.28  1.0
  La  La2  1  0.0  0.51  0.8  1.0
  Pd  Pd3  1  0.0  0.3  0.23  1.0
  Pd  Pd4  1  0.0  0.41  0.76  1.0
  Pd  Pd5  1  0.0  0.75  0.9  1.0

La La La Pd Pd Pd