data_[Cd1In3Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0799]
_cell_length_b [5.0799]
_cell_length_c [8.1166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CdIn3Cu8]
_chemical_formula_sum '[Cd1 In3 Cu8]'
_cell_volume [181.3893]
_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
[
  Cd  Cd0  1  0.0000  0.0000  0.4432  1.0
  In  In1  1  0.0000  0.0000  0.0685  1.0
  In  In2  1  0.6667  0.3333  0.5529  1.0
  In  In3  1  0.6667  0.3333  0.9365  1.0
  Cu  Cu4  3  0.1648  0.3296  0.7506  1.0
  Cu  Cu5  3  0.5013  0.0026  0.2491  1.0
  Cu  Cu6  1  0.3333  0.6667  0.5005  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9992  1.0
]