data_[Rb4Tl2Fe2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4327]
_cell_length_b [7.5225]
_cell_length_c [12.8931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2TlFeCl6]
_chemical_formula_sum '[Rb4 Tl2 Fe2 Cl12]'
_cell_volume [592.1385]
_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  4  0.2369  0.5465  0.7480  1
  Tl  Tl1  2  0.5000  0.0000  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.1412  0.7484  0.4691  1
  Cl  Cl4  4  0.2187  0.1752  0.4681  1
  Cl  Cl5  4  0.2732  0.5076  0.2130  1
]