data_[Y3Cd3Cu3]
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 [P-62m]
_cell_length_a [7.5611]
_cell_length_b [7.5611]
_cell_length_c [3.8440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [YCdCu]
_chemical_formula_sum '[Y3 Cd3 Cu3]'
_cell_volume [190.3194]
_cell_formula_units_Z [3]
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  3  0.0000  0.5903  0.0000  1.0
  Cd  Cd1  3  0.0000  0.2542  0.5000  1.0
  Cu  Cu2  2  0.3333  0.6667  0.5000  1.0
  Cu  Cu3  1  0.0000  0.0000  0.0000  1.0
]