data_[La6Ni2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4348]
_cell_length_b [3.9960]
_cell_length_c [8.5014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3NiPd]
_chemical_formula_sum '[La6 Ni2 Pd2]'
_cell_volume [272.4686]
_cell_formula_units_Z [2]
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  2  0.0619  0.7500  0.2454  1.0
  La  La1  2  0.3194  0.7500  0.9701  1.0
  La  La2  2  0.3493  0.2500  0.6047  1.0
  Ni  Ni3  2  0.0743  0.7500  0.5843  1.0
  Pd  Pd4  2  0.3539  0.2500  0.2451  1.0
]