data_[Fe10Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [8.8606]
_cell_length_b [2.8846]
_cell_length_c [5.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe5Si]
_chemical_formula_sum '[Fe10 Si2]'
_cell_volume [136.1804]
_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
[
  Fe  Fe0  4  0.1677  0.0000  0.3355  1.0
  Fe  Fe1  4  0.1686  0.0000  0.8339  1.0
  Fe  Fe2  2  0.0000  0.5000  0.0000  1.0
  Si  Si3  2  0.0000  0.5000  0.5000  1.0
]