data_[Li12Sm4Pd8]
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 [C2/m]
_cell_length_a [13.8878]
_cell_length_b [4.1935]
_cell_length_c [8.4250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3SmPd2]
_chemical_formula_sum '[Li12 Sm4 Pd8]'
_cell_volume [432.6757]
_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  0.0601  0.0000  0.3941  1.0
  Li  Li1  4  0.0827  0.5000  0.6884  1.0
  Li  Li2  4  0.2161  0.5000  0.5412  1.0
  Sm  Sm3  4  0.1365  0.0000  0.0233  1.0
  Pd  Pd4  4  0.0608  0.5000  0.1890  1.0
  Pd  Pd5  4  0.2097  0.0000  0.7392  1.0
]