data_[Li4Sm4Pd16]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0241]
_cell_length_b [12.7676]
_cell_length_c [8.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiSmPd4]
_chemical_formula_sum '[Li4 Sm4 Pd16]'
_cell_volume [412.8334]
_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
[
  Li  Li0  4  0.0000  0.1383  0.2500  1
  Sm  Sm1  4  0.0000  0.1618  0.7500  1
  Pd  Pd2  8  0.0000  0.3363  0.5149  1
  Pd  Pd3  4  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.0000  0.4979  0.7500  1
]