data_[Rb4Fe4Ni4Cl20]
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/c]
_cell_length_a [9.6937]
_cell_length_b [11.6126]
_cell_length_c [8.3598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbFeNiCl5]
_chemical_formula_sum '[Rb4 Fe4 Ni4 Cl20]'
_cell_volume [914.2166]
_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
[
  Rb  Rb0  4  0.0000  0.3597  0.7500  1.0
  Fe  Fe1  4  0.0000  0.2789  0.2500  1.0
  Ni  Ni2  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.1160  0.1613  0.1065  1.0
  Cl  Cl4  8  0.1480  0.3912  0.4283  1.0
  Cl  Cl5  4  0.0000  0.0722  0.7500  1.0
]