data_[Na12Mn3S6O24F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.6755]
_cell_length_b [9.7079]
_cell_length_c [9.7966]
_cell_angle_alpha [113.8010]
_cell_angle_beta [105.2062]
_cell_angle_gamma [109.0067]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na12Mn3S6(O3F)8]
_chemical_formula_sum '[Na12 Mn3 S6 O24 F8]'
_cell_volume [708.7946]
_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
[
  Na  Na0  2  0.1119  0.6794  0.9849  1
  Na  Na1  2  0.1546  0.1448  0.4408  1
  Na  Na2  2  0.2189  0.2832  0.9174  1
  Na  Na3  2  0.3043  0.9497  0.7958  1
  Na  Na4  2  0.3283  0.4999  0.3662  1
  Na  Na5  2  0.3396  0.5748  0.7855  1
  Mn  Mn6  1  0.0000  0.0000  0.0000  1
  Mn  Mn7  1  0.0000  0.5000  0.5000  1
  Mn  Mn8  1  0.5000  0.0000  0.5000  1
  S  S9  2  0.0903  0.7623  0.3569  1
  S  S10  2  0.3946  0.1268  0.2276  1
  S  S11  2  0.4643  0.6654  0.1836  1
  O  O12  2  0.0473  0.6320  0.1845  1
  O  O13  2  0.0521  0.2095  0.6418  1
  O  O14  2  0.1369  0.7037  0.4739  1
  O  O15  2  0.2152  0.9947  0.1339  1
  O  O16  2  0.2344  0.9305  0.4211  1
  O  O17  2  0.3258  0.6105  0.0274  1
  O  O18  2  0.3776  0.2112  0.7894  1
  O  O19  2  0.4195  0.2904  0.3623  1
  O  O20  2  0.4308  0.7429  0.3296  1
  O  O21  2  0.4507  0.1524  0.1079  1
  O  O22  2  0.4676  0.5085  0.1722  1
  O  O23  2  0.4879  0.0572  0.3007  1
  F  F24  2  0.0622  0.9828  0.8254  1
  F  F25  2  0.1042  0.2445  0.0974  1
  F  F26  2  0.1362  0.6566  0.7348  1
  F  F27  2  0.1658  0.4290  0.4948  1
]