data_[Fe36Co18Si3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.5546]
_cell_length_b [8.5546]
_cell_length_c [10.6059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Fe12Co6Si]
_chemical_formula_sum '[Fe36 Co18 Si3]'
_cell_volume [672.1680]
_cell_formula_units_Z [3]
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  18  0.0504  0.1873  0.8082  1
  Fe  Fe1  18  0.0676  0.8353  0.4168  1
  Co  Co2  18  0.0314  0.4432  0.7075  1
  Si  Si3  3  0.0000  0.0000  0.0000  1
]