data_[La4P4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2860]
_cell_length_b [4.1965]
_cell_length_c [6.8563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2P2Pd3]
_chemical_formula_sum '[La4 P4 Pd6]'
_cell_volume [275.7447]
_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  0.1323  0.0000  0.7719  1
  P  P1  4  0.1580  0.0000  0.2357  1
  Pd  Pd2  4  0.1272  0.5000  0.4303  1
  Pd  Pd3  2  0.0000  0.5000  0.0000  1
]