data_[Li16Cd4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8757]
_cell_length_b [5.2596]
_cell_length_c [6.8802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Cd2Cu]
_chemical_formula_sum '[Li16 Cd4 Cu2]'
_cell_volume [402.6641]
_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  8  0.0847  0.2539  0.3842  1.0
  Li  Li1  4  0.1093  0.5000  0.9889  1.0
  Li  Li2  4  0.2420  0.0000  0.2255  1.0
  Cd  Cd3  4  0.1475  0.0000  0.7761  1.0
  Cu  Cu4  2  0.0000  0.0000  0.0000  1.0
]