data_[Y6Re4Si8]
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 [C2/m]
_cell_length_a [10.7963]
_cell_length_b [4.2088]
_cell_length_c [8.1392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(ReSi2)2]
_chemical_formula_sum '[Y6 Re4 Si8]'
_cell_volume [348.0803]
_cell_formula_units_Z [2]
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  0.1211  0.5000  0.6993  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0980  0.0000  0.4181  1.0
  Re  Re3  4  0.1803  0.5000  0.3522  1.0
  Si  Si4  4  0.2140  0.5000  0.0762  1.0
]