data_[Cs2Tl4Fe2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2193]
_cell_length_b [7.1696]
_cell_length_c [11.1448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTl2FeF6]
_chemical_formula_sum '[Cs2 Tl4 Fe2 F12]'
_cell_volume [413.0058]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2785  0.5299  0.7705  1.0
  Fe  Fe2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1029  0.5993  0.1901  1.0
  F  F4  4  0.2437  0.2095  0.5952  1.0
  F  F5  4  0.2832  0.6400  0.0082  1.0
]