data_[Rb4Fe4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4063]
_cell_length_b [9.2976]
_cell_length_c [5.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbFeCl3]
_chemical_formula_sum '[Rb4 Fe4 Cl12]'
_cell_volume [620.0961]
_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  0.1898  0.0000  0.7386  1.0
  Fe  Fe1  4  0.0000  0.3511  0.0000  1.0
  Cl  Cl2  8  0.1178  0.2125  0.2295  1.0
  Cl  Cl3  4  0.1045  0.5000  0.7650  1.0
]