data_[Cs1Na2Mn1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [4.8052]
_cell_length_b [5.2600]
_cell_length_c [7.8383]
_cell_angle_alpha [86.0007]
_cell_angle_beta [80.3228]
_cell_angle_gamma [88.8895]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNa2MnF8]
_chemical_formula_sum '[Cs1 Na2 Mn1 F8]'
_cell_volume [194.8173]
_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
  Na  Na1  2  0.4700  0.4895  0.7917  1.0
  Mn  Mn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1536  0.7796  0.1535  1.0
  F  F4  2  0.2330  0.2603  0.0354  1.0
  F  F5  2  0.2637  0.8974  0.8165  1.0
  F  F6  2  0.2920  0.4859  0.5056  1.0
]