data_[Cs8Mn8F24]
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 [C2/c]
_cell_length_a [13.7350]
_cell_length_b [10.4304]
_cell_length_c [6.3558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsMnF3]
_chemical_formula_sum '[Cs8 Mn8 F24]'
_cell_volume [901.0509]
_cell_formula_units_Z [8]
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  0.0000  0.1200  0.2500  1.0
  Cs  Cs1  4  0.0000  0.3413  0.7500  1.0
  Mn  Mn2  8  0.2432  0.1029  0.8865  1.0
  F  F3  8  0.1171  0.1037  0.6772  1.0
  F  F4  8  0.1648  0.2367  0.0790  1.0
  F  F5  8  0.1874  0.4989  0.3491  1.0
]