data_[Sm6Cd18Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [19.0505]
_cell_length_b [3.9988]
_cell_length_c [10.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmCd3Pd2]
_chemical_formula_sum '[Sm6 Cd18 Pd12]'
_cell_volume [791.3249]
_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
[
  Sm  Sm0  4  0.1532  0.0000  0.7174  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Cd  Cd2  4  0.0479  0.0000  0.3410  1
  Cd  Cd3  4  0.1240  0.5000  0.2092  1
  Cd  Cd4  4  0.1738  0.5000  0.9767  1
  Cd  Cd5  4  0.2120  0.0000  0.4063  1
  Cd  Cd6  2  0.0000  0.5000  0.5000  1
  Pd  Pd7  4  0.0348  0.5000  0.8101  1
  Pd  Pd8  4  0.1395  0.5000  0.5053  1
  Pd  Pd9  4  0.2243  0.0000  0.1632  1
]