data_[Cs1Li1Mn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1117]
_cell_length_b [5.1211]
_cell_length_c [8.3767]
_cell_angle_alpha [82.4029]
_cell_angle_beta [83.8134]
_cell_angle_gamma [77.8170]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLiMn2F8]
_chemical_formula_sum '[Cs1 Li1 Mn2 F8]'
_cell_volume [211.7392]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.4960  0.4784  0.1859  1.0
  F  F3  2  0.1976  0.7897  0.8264  1.0
  F  F4  2  0.1992  0.7566  0.1898  1.0
  F  F5  2  0.3465  0.3194  0.9971  1.0
  F  F6  2  0.4013  0.3382  0.3915  1.0
]