data_[Fe2Ni2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9557]
_cell_length_b [11.8579]
_cell_length_c [5.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeNiCl6]
_chemical_formula_sum '[Fe2 Ni2 Cl12]'
_cell_volume [396.7415]
_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  0.0000  0.5000  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.2270  0.1322  0.2278  1
  Cl  Cl3  4  0.2308  0.5000  0.2684  1
]