data_[Sm6Al4Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1088]
_cell_length_b [4.1088]
_cell_length_c [27.9193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sm3Al2Pd7]
_chemical_formula_sum '[Sm6 Al4 Pd14]'
_cell_volume [471.3438]
_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  4  0.0000  0.0000  0.3234  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.0000  0.1273  1.0
  Pd  Pd3  8  0.0000  0.5000  0.0783  1.0
  Pd  Pd4  4  0.0000  0.0000  0.2166  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]