data_[Y8Fe4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5236]
_cell_length_b [4.1396]
_cell_length_c [10.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2FeSi2]
_chemical_formula_sum '[Y8 Fe4 Si8]'
_cell_volume [380.3915]
_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  0.0012  0.0000  0.6722  1.0
  Y  Y1  4  0.1880  0.0000  0.1078  1.0
  Fe  Fe2  4  0.2280  0.5000  0.3768  1.0
  Si  Si3  4  0.0004  0.5000  0.1271  1.0
  Si  Si4  4  0.1575  0.5000  0.5649  1.0
]