data_[Li1Sm2Al4Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P-4m2]
_cell_length_a [4.2056]
_cell_length_b [4.2056]
_cell_length_c [10.8775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiSm2Al4Pd3]
_chemical_formula_sum '[Li1 Sm2 Al4 Pd3]'
_cell_volume [192.3950]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.5000  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.7594  1.0
  Al  Al2  2  0.0000  0.5000  0.3650  1.0
  Al  Al3  1  0.0000  0.0000  0.0000  1.0
  Al  Al4  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd5  2  0.0000  0.5000  0.1337  1.0
  Pd  Pd6  1  0.0000  0.0000  0.5000  1.0
]