data_[Rb2Fe4Ni2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [10.2686]
_cell_length_b [7.0595]
_cell_length_c [9.4518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFe2NiCl8]
_chemical_formula_sum '[Rb2 Fe4 Ni2 Cl16]'
_cell_volume [679.3516]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1161  0.5000  0.7987  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0143  0.2431  0.1897  1.0
  Cl  Cl4  4  0.1856  0.5000  0.5869  1.0
  Cl  Cl5  4  0.2324  0.0000  0.0093  1.0
]