data_[Rb4Ca4Fe4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0059]
_cell_length_b [12.3543]
_cell_length_c [9.9141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCaFeCl5]
_chemical_formula_sum '[Rb4 Ca4 Fe4 Cl20]'
_cell_volume [1016.9064]
_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  0.3407  0.7500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.3150  0.2500  1.0
  Cl  Cl3  8  0.1048  0.2084  0.1169  1.0
  Cl  Cl4  8  0.1794  0.4299  0.4240  1.0
  Cl  Cl5  4  0.0000  0.0780  0.7500  1.0
]