data_[Y1Cd3Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0976]
_cell_length_b [5.0976]
_cell_length_c [8.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [YCd3Cu8]
_chemical_formula_sum '[Y1 Cd3 Cu8]'
_cell_volume [184.2059]
_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
[
  Y  Y0  1  0.0000  0.0000  0.4377  1.0
  Cd  Cd1  1  0.0000  0.0000  0.0491  1.0
  Cd  Cd2  1  0.6667  0.3333  0.5735  1.0
  Cd  Cd3  1  0.6667  0.3333  0.9405  1.0
  Cu  Cu4  3  0.1663  0.3327  0.7519  1.0
  Cu  Cu5  3  0.5024  0.0048  0.2471  1.0
  Cu  Cu6  1  0.3333  0.6667  0.0030  1.0
  Cu  Cu7  1  0.3333  0.6667  0.4991  1.0
]