data_[Fe2Co2Si4]
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 [Cm]
_cell_length_a [8.3738]
_cell_length_b [2.7194]
_cell_length_c [3.9759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeCoSi2]
_chemical_formula_sum '[Fe2 Co2 Si4]'
_cell_volume [87.5052]
_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  2  0.2397  0.5000  0.1762  1.0
  Co  Co1  2  0.0088  0.5000  0.5710  1.0
  Si  Si2  2  0.0027  0.0000  0.0673  1.0
  Si  Si3  2  0.2488  0.0000  0.6856  1.0
]