data_[Sm20Tl8Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9430]
_cell_length_b [8.7064]
_cell_length_c [7.4021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sm5(TlPd)2]
_chemical_formula_sum '[Sm20 Tl8 Pd8]'
_cell_volume [1027.4513]
_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
[
  Sm  Sm0  16  0.1231  0.1811  0.6518  1.0
  Sm  Sm1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2122  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1189  0.3648  1.0
]