data_[Y6Cd6Cu6]
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 [Pmma]
_cell_length_a [12.6124]
_cell_length_b [4.0327]
_cell_length_c [7.5605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YCdCu]
_chemical_formula_sum '[Y6 Cd6 Cu6]'
_cell_volume [384.5466]
_cell_formula_units_Z [6]
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  4  0.0450  0.0000  0.7651  1.0
  Y  Y1  2  0.2500  0.0000  0.1518  1.0
  Cd  Cd2  4  0.1200  0.5000  0.4319  1.0
  Cd  Cd3  2  0.2500  0.5000  0.8024  1.0
  Cu  Cu4  4  0.0916  0.5000  0.0555  1.0
  Cu  Cu5  2  0.2500  0.0000  0.5525  1.0
]