data_[Li4Ti2Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9385]
_cell_length_b [3.1245]
_cell_length_c [12.7345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2TiCd8]
_chemical_formula_sum '[Li4 Ti2 Cd16]'
_cell_volume [451.7808]
_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  0.0921  0.5000  0.6444  1
  Ti  Ti1  2  0.0000  0.5000  0.0000  1
  Cd  Cd2  4  0.0549  0.0000  0.8297  1
  Cd  Cd3  4  0.1238  0.0000  0.4670  1
  Cd  Cd4  4  0.1759  0.5000  0.2826  1
  Cd  Cd5  4  0.2216  0.0000  0.1011  1
]