data_[Cs9Mn9F27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1404]
_cell_length_b [6.1404]
_cell_length_c [22.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsMnF3]
_chemical_formula_sum '[Cs9 Mn9 F27]'
_cell_volume [750.3553]
_cell_formula_units_Z [9]
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  6  0.0000  0.0000  0.2132  1
  Cs  Cs1  3  0.0000  0.0000  0.0000  1
  Mn  Mn2  6  0.0000  0.0000  0.3785  1
  Mn  Mn3  3  -0.0000  -0.0000  0.5000  1
  F  F4  18  0.0294  0.5147  0.2257  1
  F  F5  9  0.0000  0.5000  0.0000  1
]