data_[Y12Cu20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2053]
_cell_length_b [9.9812]
_cell_length_c [14.2862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y3Cu5]
_chemical_formula_sum '[Y12 Cu20]'
_cell_volume [599.6453]
_cell_formula_units_Z [4]
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  8  0.0000  0.4080  0.1023  1
  Y  Y1  4  0.0000  0.1264  0.2500  1
  Cu  Cu2  8  0.0000  0.1117  0.0408  1
  Cu  Cu3  8  0.0000  0.2965  0.6014  1
  Cu  Cu4  4  0.0000  0.1634  0.7500  1
]