data_[Rb1Fe1H2Cl8]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6575]
_cell_length_b [6.7302]
_cell_length_c [8.4952]
_cell_angle_alpha [82.6523]
_cell_angle_beta [80.5181]
_cell_angle_gamma [61.2593]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbFe(HCl4)2]
_chemical_formula_sum '[Rb1 Fe1 H2 Cl8]'
_cell_volume [328.6657]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.1872  0.3256  0.6859  1.0
  Cl  Cl3  2  0.1001  0.6836  0.1709  1.0
  Cl  Cl4  2  0.2108  0.1002  0.1151  1.0
  Cl  Cl5  2  0.3064  0.8043  0.8292  1.0
  Cl  Cl6  2  0.3242  0.3487  0.5606  1.0
]