data_[La4As2P2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.5633]
_cell_length_b [8.9014]
_cell_length_c [8.1277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La2AsPPd6]
_chemical_formula_sum '[La4 As2 P2 Pd12]'
_cell_volume [402.4884]
_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  0.2436  0.2646  1.0
  As  As1  2  0.0000  0.5000  0.7288  1.0
  P  P2  2  0.0000  0.0000  0.7574  1.0
  Pd  Pd3  4  0.0000  0.2490  0.8771  1.0
  Pd  Pd4  4  0.2466  0.0000  0.5225  1.0
  Pd  Pd5  4  0.2490  0.5000  0.0015  1.0
]