data_[La4Cd12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0916]
_cell_length_b [4.0430]
_cell_length_c [9.4603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCd3Pd2]
_chemical_formula_sum '[La4 Cd12 Pd8]'
_cell_volume [550.1797]
_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  0.1333  0.0000  0.1341  1.0
  Cd  Cd1  4  0.0004  0.0000  0.6507  1.0
  Cd  Cd2  4  0.1711  0.5000  0.8754  1.0
  Cd  Cd3  4  0.1711  0.5000  0.4668  1.0
  Pd  Pd4  4  0.0003  0.5000  0.1461  1.0
  Pd  Pd5  4  0.1941  0.0000  0.6940  1.0
]