data_[Li12Mn8P8O32F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.1106]
_cell_length_b [10.7973]
_cell_length_c [8.8409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Li3Mn2P2O8F3]
_chemical_formula_sum '[Li12 Mn8 P8 O32 F12]'
_cell_volume [869.6834]
_cell_formula_units_Z [4]
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
[
  Li  Li0  8  0.2136  0.0000  0.9829  1.0
  Li  Li1  4  0.0000  0.0000  0.2908  1.0
  Mn  Mn2  8  0.0000  0.1969  0.0025  1.0
  P  P3  8  0.2500  0.2500  0.2577  1.0
  O  O4  16  0.1515  0.1652  0.1593  1.0
  O  O5  16  0.1590  0.1587  0.8554  1.0
  F  F6  8  0.0000  0.1209  0.4571  1.0
  F  F7  4  0.0000  0.0000  0.0209  1.0
]