data_[La4Sn2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6496]
_cell_length_b [8.9191]
_cell_length_c [8.4332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La2SnPPd6]
_chemical_formula_sum '[La4 Sn2 P2 Pd12]'
_cell_volume [424.9452]
_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  0.0000  0.2495  0.2626  1.0
  Sn  Sn1  2  0.0000  0.5000  0.7124  1.0
  P  P2  2  0.0000  0.0000  0.7745  1.0
  Pd  Pd3  4  0.0000  0.2462  0.8898  1.0
  Pd  Pd4  4  0.2421  0.0000  0.5454  1.0
  Pd  Pd5  4  0.2489  0.5000  0.9928  1.0
]