data_[Rb4Fe2Cl8]
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 [P2_1/m]
_cell_length_a [7.2919]
_cell_length_b [7.3266]
_cell_length_c [9.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Rb2FeCl4]
_chemical_formula_sum '[Rb4 Fe2 Cl8]'
_cell_volume [470.7768]
_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  0.2123  0.2500  0.4255  1.0
  Rb  Rb1  2  0.2932  0.2500  0.9558  1.0
  Fe  Fe2  2  0.2770  0.7500  0.2072  1.0
  Cl  Cl3  4  0.4887  0.5047  0.2661  1.0
  Cl  Cl4  2  0.0827  0.7500  0.3567  1.0
  Cl  Cl5  2  0.1208  0.7500  0.9508  1.0
]