data_[Fe4Si4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.8606]
_cell_length_b [4.1376]
_cell_length_c [14.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [FeSiCl]
_chemical_formula_sum '[Fe4 Si4 Cl4]'
_cell_volume [227.3189]
_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
[
  Fe  Fe0  4  0.0000  0.0000  0.3396  1
  Si  Si1  4  0.0000  0.0000  0.7155  1
  Cl  Cl2  4  0.0000  0.0000  0.9449  1
]