data_[Pr16Sn4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9682]
_cell_length_b [5.1597]
_cell_length_c [7.0739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Sn2Pd]
_chemical_formula_sum '[Pr16 Sn4 Pd2]'
_cell_volume [704.8090]
_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
[
  Pr  Pr0  4  0.0164  0.0000  0.7798  1.0
  Pr  Pr1  4  0.0927  0.5000  0.4740  1.0
  Pr  Pr2  4  0.1494  0.5000  0.9966  1.0
  Pr  Pr3  4  0.2148  0.0000  0.3193  1.0
  Sn  Sn4  4  0.1814  0.0000  0.7540  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]