data_[Yb2Fe4Si9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.9323]
_cell_length_b [3.9323]
_cell_length_c [16.4617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Yb2Fe4Si9]
_chemical_formula_sum '[Yb2 Fe4 Si9]'
_cell_volume [220.4385]
_cell_formula_units_Z [1]
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
[
  Yb  Yb0  2  0.3333  0.6667  0.2400  1
  Fe  Fe1  2  0.3333  0.6667  0.5797  1
  Fe  Fe2  2  0.3333  0.6667  0.9017  1
  Si  Si3  2  0.0000  0.0000  0.1243  1
  Si  Si4  2  0.0000  0.0000  0.3523  1
  Si  Si5  2  0.3333  0.6667  0.4274  1
  Si  Si6  2  0.3333  0.6667  0.0423  1
  Si  Si7  1  0.0000  0.0000  0.5000  1
]