data_[Li4Sm6Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6223]
_cell_length_b [4.6223]
_cell_length_c [25.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Li2(SmCd2)3]
_chemical_formula_sum '[Li4 Sm6 Cd12]'
_cell_volume [542.3858]
_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
[
  Li  Li0  4  0.0000  0.0000  0.4520  1
  Sm  Sm1  4  0.0000  0.0000  0.2009  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  8  0.0000  0.5000  0.0999  1
  Cd  Cd4  4  0.0000  0.0000  0.3248  1
]