data_[Li20Cd4Cu4]
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/c]
_cell_length_a [6.7491]
_cell_length_b [7.0530]
_cell_length_c [10.0535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5CdCu]
_chemical_formula_sum '[Li20 Cd4 Cu4]'
_cell_volume [464.3062]
_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  8  0.1485  0.3575  0.0613  1.0
  Li  Li1  8  0.2242  0.2952  0.3684  1.0
  Li  Li2  4  0.0000  0.0078  0.2500  1.0
  Cd  Cd3  4  0.0000  0.3865  0.7500  1.0
  Cu  Cu4  4  0.0000  0.0000  0.0000  1.0
]