data_[Rb12Fe6Ni6Cl36]
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 [R-3m]
_cell_length_a [7.0584]
_cell_length_b [7.0584]
_cell_length_c [35.1082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2FeNiCl6]
_chemical_formula_sum '[Rb12 Fe6 Ni6 Cl36]'
_cell_volume [1514.7943]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1237  1.0
  Rb  Rb1  6  0.0000  0.0000  0.2924  1.0
  Fe  Fe2  6  0.0000  0.0000  0.4124  1.0
  Ni  Ni3  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0018  0.5009  0.7075  1.0
  Cl  Cl6  18  0.0191  0.5096  0.1243  1.0
]