data_[Cs4Ti4Mn4O4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.6199]
_cell_length_b [10.6993]
_cell_length_c [7.5185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [CsTiMnOF5]
_chemical_formula_sum '[Cs4 Ti4 Mn4 O4 F20]'
_cell_volume [612.9683]
_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
[
  Cs  Cs0  4  0.2500  0.1167  0.4941  1.0
  Ti  Ti1  4  0.2500  0.7461  0.2305  1.0
  Mn  Mn2  4  0.0000  0.0000  0.0031  1.0
  O  O3  4  0.2500  0.7176  0.0041  1.0
  F  F4  8  0.0678  0.6233  0.2852  1.0
  F  F5  8  0.0692  0.6235  0.7213  1.0
  F  F6  4  0.2500  0.0820  0.0053  1.0
]