data_[Sm2Sn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [14.7423]
_cell_length_b [4.1771]
_cell_length_c [6.7479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(SnPd4)2]
_chemical_formula_sum '[Sm2 Sn4 Pd16]'
_cell_volume [387.8631]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.2117  0.0000  0.6682  1.0
  Pd  Pd2  4  0.0368  0.0000  0.7217  1.0
  Pd  Pd3  4  0.0963  0.5000  0.4672  1.0
  Pd  Pd4  4  0.1527  0.0000  0.2251  1.0
  Pd  Pd5  4  0.1792  0.5000  0.9200  1.0
]