data_[La4Si4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8841]
_cell_length_b [4.0259]
_cell_length_c [7.1688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Si2Pd3]
_chemical_formula_sum '[La4 Si4 Pd6]'
_cell_volume [284.0099]
_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  0.1332  0.0000  0.7698  1.0
  Si  Si1  4  0.1495  0.0000  0.2247  1.0
  Pd  Pd2  4  0.1393  0.5000  0.4299  1.0
  Pd  Pd3  2  0.0000  0.5000  0.0000  1.0
]