data_[La14Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.4012]
_cell_length_b [10.4012]
_cell_length_c [6.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [La7Pd3]
_chemical_formula_sum '[La14 Pd6]'
_cell_volume [618.9447]
_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  6  0.0758  0.5379  0.0559  1.0
  La  La1  6  0.1255  0.2511  0.7578  1.0
  La  La2  2  0.3333  0.6667  0.5470  1.0
  Pd  Pd3  6  0.1882  0.3763  0.3063  1.0
]