data_[Li4Cd5Cu1]
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 [P4/mmm]
_cell_length_a [3.3342]
_cell_length_b [3.3342]
_cell_length_c [15.9832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Li4Cd5Cu]
_chemical_formula_sum '[Li4 Cd5 Cu1]'
_cell_volume [177.6878]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1957  1
  Li  Li1  2  0.0000  0.0000  0.3993  1
  Cd  Cd2  2  0.5000  0.5000  0.0956  1
  Cd  Cd3  2  0.5000  0.5000  0.2981  1
  Cd  Cd4  1  0.5000  0.5000  0.5000  1
  Cu  Cu5  1  0.0000  0.0000  0.0000  1
]