data_[Y8Cu8Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1787]
_cell_length_b [17.6035]
_cell_length_c [6.6071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2Cu2Si3]
_chemical_formula_sum '[Y8 Cu8 Si12]'
_cell_volume [486.0184]
_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  4  0.0000  0.0516  0.2500  1
  Y  Y1  4  0.0000  0.1571  0.7500  1
  Cu  Cu2  8  0.0000  0.3109  0.5605  1
  Si  Si3  8  0.0000  0.4384  0.0690  1
  Si  Si4  4  0.0000  0.2224  0.2500  1
]