data_[Rb4Fe4Cl16]
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 [Pnma]
_cell_length_a [11.2643]
_cell_length_b [7.1110]
_cell_length_c [9.2879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbFeCl4]
_chemical_formula_sum '[Rb4 Fe4 Cl16]'
_cell_volume [743.9601]
_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  0.1795  0.2500  0.6652  1
  Fe  Fe1  4  0.0678  0.2500  0.1881  1
  Cl  Cl2  8  0.0802  0.5001  0.3283  1
  Cl  Cl3  4  0.1031  0.7500  0.9245  1
  Cl  Cl4  4  0.2200  0.2500  0.0412  1
]