data_[La4Sb4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3496]
_cell_length_b [4.3988]
_cell_length_c [7.1221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Sb2Pd3]
_chemical_formula_sum '[La4 Sb4 Pd6]'
_cell_volume [327.0091]
_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  4  0.1344  0.0000  0.7519  1
  Sb  Sb1  4  0.1501  0.0000  0.2335  1
  Pd  Pd2  4  0.1046  0.5000  0.4326  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]