data_[Pr6Sn18Pd12]
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 [17.6555]
_cell_length_b [4.5639]
_cell_length_c [10.7860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrSn3Pd2]
_chemical_formula_sum '[Pr6 Sn18 Pd12]'
_cell_volume [834.7526]
_cell_formula_units_Z [6]
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  0.1566  0.0000  0.7047  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  4  0.0450  0.0000  0.3487  1
  Sn  Sn3  4  0.1294  0.5000  0.1819  1
  Sn  Sn4  4  0.1608  0.5000  0.9310  1
  Sn  Sn5  4  0.2201  0.0000  0.3684  1
  Sn  Sn6  2  0.0000  0.5000  0.5000  1
  Pd  Pd7  4  0.0151  0.5000  0.7747  1
  Pd  Pd8  4  0.1441  0.5000  0.4482  1
  Pd  Pd9  4  0.1920  0.0000  0.0966  1
]