data_[Li4Sm6Cd8]
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 [C2/m]
_cell_length_a [9.4010]
_cell_length_b [5.2760]
_cell_length_c [9.1485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Sm3Cd4]
_chemical_formula_sum '[Li4 Sm6 Cd8]'
_cell_volume [448.1440]
_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  0.2223  0.5000  0.4011  1.0
  Sm  Sm1  4  0.1267  0.5000  0.7393  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  4  0.0564  0.0000  0.3607  1.0
  Cd  Cd4  4  0.1857  0.5000  0.0990  1.0
]