data_[La12Pr4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7386]
_cell_length_b [10.7548]
_cell_length_c [7.4545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrPd3]
_chemical_formula_sum '[La12 Pr4 Pd12]'
_cell_volume [779.9557]
_cell_formula_units_Z [4]
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  0.1847  0.5000  1.0
  La  La1  4  0.0000  0.2540  0.0000  1.0
  La  La2  4  0.1573  0.5000  0.3888  1.0
  Pr  Pr3  4  0.2471  0.5000  0.8795  1.0
  Pd  Pd4  8  0.2402  0.2267  0.7689  1.0
  Pd  Pd5  4  0.0567  0.0000  0.8013  1.0
]