data_[Y8Re12Si20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [10.9930]
_cell_length_b [10.9930]
_cell_length_c [5.5326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Y2Re3Si5]
_chemical_formula_sum '[Y8 Re12 Si20]'
_cell_volume [668.5998]
_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  0.0780  0.2373  0.0000  1
  Si  Si1  8  0.0280  0.3143  0.5000  1
  Re  Re2  8  0.1235  0.8526  0.5000  1
  Si  Si3  8  0.1721  0.6721  0.2500  1
  Si  Si4  4  0.0000  0.0000  0.2433  1
  Re  Re5  4  0.0000  0.5000  0.2500  1
]